(2S)-4-Methyl-2-[(S-Methylsulfonodiimidoyl)Methyl]-N-[(10S)-9-Oxo-1,8-Diazatricyclo[10.6.1.0~13,18~]Nonadeca-12(19),13,15,17-Tetraen-10-Yl]Pentanamide

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Formula C25H39N5O2S
IUPAC Name (2s)-4-methyl-2-[(s-methylsulfonodiimidoyl)methyl]-n-[(10s)-9-oxo-1,8-diazatricyclo[10.6.1.0 13,18 ]nonadeca-12(19),13,15,17-tetraen-10-yl]pentanamide
Molecular Mass 473.674 g·mol−1
Heat of Formation -114.8 ± 16.7 kJ·mol−1
Dipole Moment 8.97 ± 1.08 D
Volume 601.14 Å 3
Surface Area 459.69 Å 2
HOMO Energy -8.21 ± 0.55 eV
LUMO Energy 0.05 ± eV
Point Group Symmetry C1
Synonyms
  • 4-methyl-3-(9-oxo-1,8-diaza-tricyclo[10.6.1.0(13,18)]nonadeca-12(19),13(18),15,17-tetraene-10-carbamoyl)penta-methylsulfonediimine
  • srs
InChIKey MQEMTMGYPYUQLH-IRLDBZIGSA-N
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