Geometry & MOs
Info
ID: |
227612 |
PubChem CID: |
87562088 |
Reduced: |
BrFO3C13H18 (1) |
Stoich.: |
ABC3D13E18 (1) |
Weight, g/mol: |
1148.614909 |
ΔHf, kcal/mol: |
-155.93 |
Dipole, Da: |
3.32 |
IP(EA), eV: |
-9.71(-1.33) |
Spin(Sz, S2): |
None, None |
Charge, e: |
0 |
Chem-info
IUPAC name:
6-chloro-N-[[(3R,5R)-2-oxo-1-[(2R)-2-phenylbutyl]-3-(2-piperidin-1-ylethyl)-1,4-diazepan-5-yl]methyl]naphthalene-2-carboxamide;6-chloro-N-[[(3R,5R)-2-oxo-1-[(2S)-2-phenylbutyl]-3-(2-piperidin-1-ylethyl)-1,4-diazepan-5-yl]methyl]naphthalene-2-carboxamide