Geometry & MOs
Info
ID: |
168544 |
PubChem CID: |
74985489 |
Reduced: |
ClNO2C15H21 (1) |
Stoich.: |
ABC2D15E21 (1) |
Weight, g/mol: |
613.434239 |
ΔHf, kcal/mol: |
-95.12 |
Dipole, Da: |
3.66 |
IP(EA), eV: |
0.0(0.0) |
Spin(Sz, S2): |
0.500000, 1.134494 |
Charge, e: |
0 |
Chem-info
IUPAC name:
dimethyl 2-[(9-hydroxy-5a,5b,8,8,11a-pentamethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysene-3a-carbonyl)amino]pentanedioate