Geometry & MOs
Info
ID: |
180324 |
PubChem CID: |
76616751 |
Reduced: |
NO2C8H14 (1) |
Stoich.: |
AB2C8D14 (1) |
Weight, g/mol: |
735.275894 |
ΔHf, kcal/mol: |
-80.16 |
Dipole, Da: |
3.11 |
IP(EA), eV: |
0.0(0.0) |
Spin(Sz, S2): |
0.500000, 0.755581 |
Charge, e: |
0 |
Chem-info
IUPAC name:
2-[3-[4-[3-[4-amino-3-chloro-5-(trifluoromethyl)phenyl]-2-[4-(2-oxo-4,5-dihydro-1H-1,3-benzodiazepin-3-yl)piperidine-1-carbonyl]oxypropanoyl]piperazin-1-yl]azetidin-1-yl]acetic acid