Nelivaptan

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Properties Simple | Detailed

Formula C30H32ClN3O8S
IUPAC Name (1r,2s,4r)-1-[(3r)-5-chloro-1-(2,4-dimethoxyphenyl)sulfonyl-3-(2-methoxyphenyl)-2-oxo-indolin-3-yl]-4-hydroxy-n,n-dimethyl-pyrrolidine-2-carboxamide
Molecular Mass 630.108 g·mol−1
Heat of Formation -1097.4 ± 16.7 kJ·mol−1
Dipole Moment 10.26 ± 1.08 D
Volume 686.89 Å 3
Surface Area 468.2 Å 2
HOMO Energy -8.89 ± 0.55 eV
LUMO Energy -0.92 ± eV
Point Group Symmetry C1
Synonyms
  • (2s,4r)-1-[(3r)-5-chloro-1-(2,4-dimethoxyphenyl)sulfonyl-2-keto-3-(2-methoxyphenyl)indolin-3-yl]-4-hydroxy-n,n-dimethyl-pyrrolidine-2-carboxamide
  • (2s,4r)-1-[(3r)-5-chloro-1-(2,4-dimethoxyphenyl)sulfonyl-3-(2-methoxyphenyl)-2-oxo-3-indolinyl]-4-hydroxy-n,n-dimethyl-2-pyrrolidinecarboxamide
  • (2s,4r)-1-[(3r)-5-chloro-1-(2,4-dimethoxyphenyl)sulfonyl-3-(2-methoxyphenyl)-2-oxo-indol-3-yl]-4-hydroxy-n,n-dimethyl-pyrrolidine-2-carboxamide
  • (2s,4r)-1-[(3r)-5-chloro-1-(2,4-dimethoxyphenyl)sulfonyl-3-(2-methoxyphenyl)-2-oxo-indolin-3-yl]-4-hydroxy-n,n-dimethyl-pyrrolidine-2-carboxamide
InChIKey NJXZWIIMWNEOGJ-WEWKHQNJSA-N
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