Geometry & MOs
Info
ID: |
427886 |
PubChem CID: |
135164921 |
Reduced: |
N3O4C23H29 (1) |
Stoich.: |
A3B4C23D29 (1) |
Weight, g/mol: |
1092.638526 |
ΔHf, kcal/mol: |
-103.59 |
Dipole, Da: |
1.71 |
IP(EA), eV: |
-8.7(-0.16) |
Spin(Sz, S2): |
None, None |
Charge, e: |
0 |
Chem-info
IUPAC name:
6-[[(2S)-2-(methylamino)propanoyl]amino]-N-[(S)-[1-[4-[4-[4-[4-[(S)-[[(3S)-6-[[(2S)-2-(methylamino)propanoyl]amino]-5-oxo-1,2,3,6,7,8,9,9a-octahydropyrrolo[1,2-a]azepine-3-carbonyl]amino]-phenylmethyl]triazol-1-yl]butyl]phenyl]butyl]triazol-4-yl]-phenylmethyl]-5-oxo-1,2,3,6,7,8,9,9a-octahydropyrrolo[1,2-a]azepine-3-carboxamide