Geometry & MOs
Info
ID: |
228199 |
PubChem CID: |
87563647 |
Reduced: |
BrON3H10C12 (1) |
Stoich.: |
ABC3D10E12 (1) |
Weight, g/mol: |
1087.653528 |
ΔHf, kcal/mol: |
62.08 |
Dipole, Da: |
4.91 |
IP(EA), eV: |
-9.8(-1.18) |
Spin(Sz, S2): |
None, None |
Charge, e: |
0 |
Chem-info
IUPAC name:
N-[[(3S,5S)-3-(3-aminopropyl)-2-oxo-1-[(1-phenylcyclohexyl)methyl]-1,4-diazepan-5-yl]methyl]naphthalene-2-carboxamide;(2S)-2-[(3S,5R)-3-[1-(diaminomethylideneamino)propyl]-5-[[(4-fluorophenyl)methylamino]methyl]-2-oxo-1,4-diazepan-1-yl]-N-methyl-3-naphthalen-2-ylpropanamide