Geometry & MOs
Info
ID: |
190087 |
PubChem CID: |
77952161 |
Reduced: |
O3N4C19H25 (1) |
Stoich.: |
A3B4C19D25 (1) |
Weight, g/mol: |
656.321 |
ΔHf, kcal/mol: |
-73.67 |
Dipole, Da: |
2.82 |
IP(EA), eV: |
0.0(0.0) |
Spin(Sz, S2): |
0.500000, 0.804405 |
Charge, e: |
0 |
Chem-info
IUPAC name:
[20-ethyl-6,7-dimethyl-10-[(4-methylpiperidin-1-yl)methyl]-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.9.0.02,11.04,9.015,21]docosa-1(22),2,4(9),5,7,10,15(21)-heptaen-20-yl] 2-(4-oxopentanoylamino)acetate