N-[(13-Cyclohexyl-6,7-Dihydroindolo[1,2-D][1,4]Benzoxazepin-10-Yl)Carbonyl]-2-Methylalanine

Molecule SVG Image

Properties Simple | Detailed

Formula C27H30N2O4
IUPAC Name 2-[(13-cyclohexyl-6,7-dihydroindolo[1,2-d][1,4]benzoxazepin-8-ium-8a-ylium-10-carbonyl)amino]-2-methyl-propanoic acid
Molecular Mass 446.538 g·mol−1
Heat of Formation -557.9 ± 16.7 kJ·mol−1
Dipole Moment 5.44 ± 1.08 D
Volume 537.49 Å 3
Surface Area 447.16 Å 2
HOMO Energy -8.39 ± 0.55 eV
LUMO Energy 2.31 ± eV
Point Group Symmetry C1
Synonyms
  • j
  • p
  • t
InChIKey LNQWELVSNCYKDU-UHFFFAOYSA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O N