7-Ethyl-N-{(2S,3R)-3-Hydroxy-4-[(3-Methoxybenzyl)Amino]-1-Phenyl-2-Butanyl}-1-Methyl-3,4-Dihydro-1H-[1,2,5]Thiadiazepino[3,4,5-Hi]Indole-9-Carboxamide 2,2-Dioxide

Molecule SVG Image

Properties Simple | Detailed

Formula C32H38N4O5S
IUPAC Name 7-ethyl-n-{(2s,3r)-3-hydroxy-4-[(3-methoxybenzyl)amino]-1-phenyl-2-butanyl}-1-methyl-3,4-dihydro-1h-[1,2,5]thiadiazepino[3,4,5-hi]indole-9-carboxamide 2,2-dioxide
Molecular Mass 590.733 g·mol−1
Heat of Formation -546.2 ± 16.7 kJ·mol−1
Dipole Moment 7.71 ± 1.08 D
Volume 704.49 Å 3
Surface Area 567.43 Å 2
HOMO Energy -8.24 ± 0.55 eV
LUMO Energy -0.60 ± eV
Point Group Symmetry C1
InChIKey MNGUVHPNHVMEDL-MFMCTBQISA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C S O N