Erbulozole

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Properties Simple | Detailed

Formula C23H25N3O5S
IUPAC Name ethyl n-[4-[[(2r,4r)-2-(imidazol-1-ylmethyl)-2-(4-methoxyphenyl)-1,3-dioxolan-4-yl]methylsulfanyl]phenyl]carbamate
Molecular Mass 455.527 g·mol−1
Heat of Formation -586.5 ± 16.7 kJ·mol−1
Dipole Moment 6.85 ± 1.08 D
Volume 548.33 Å 3
Surface Area 417.19 Å 2
HOMO Energy -8.53 ± 0.55 eV
LUMO Energy -0.38 ± eV
Point Group Symmetry C1
Synonyms
  • d04042
  • erbulozole (usan)
  • n-[4-[[(2r,4r)-2-(1-imidazolylmethyl)-2-(4-methoxyphenyl)-1,3-dioxolan-4-yl]methylthio]phenyl]carbamic acid ethyl ester
  • n-[4-[[(2r,4r)-2-(imidazol-1-ylmethyl)-2-(4-methoxyphenyl)-1,3-dioxolan-4-yl]methylthio]phenyl]carbamic acid ethyl ester
InChIKey KLEPCGBEXOCIGS-QPPBQGQZSA-N
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