Geometry & MOs
Info
ID: |
227944 |
PubChem CID: |
87563104 |
Reduced: |
NO3C10H19 (1) |
Stoich.: |
AB3C10D19 (1) |
Weight, g/mol: |
1124.578523 |
ΔHf, kcal/mol: |
-119.51 |
Dipole, Da: |
1.23 |
IP(EA), eV: |
-9.65(0.24) |
Spin(Sz, S2): |
None, None |
Charge, e: |
0 |
Chem-info
IUPAC name:
N-[[(3S,5S)-3-[2-[acetyl(propan-2-yl)amino]ethyl]-2-oxo-1-(2-phenylbutyl)-1,4-diazepan-5-yl]methyl]-6-chloronaphthalene-2-carboxamide;6-chloro-N-[[(3S,5S)-2-oxo-1-(2-phenylbutyl)-3-[(propan-2-ylamino)methyl]-1,4-diazepan-5-yl]methyl]naphthalene-2-carboxamide