Geometry & MOs
Info
ID: |
309459 |
PubChem CID: |
126546393 |
Reduced: |
ON3C12H13 (1) |
Stoich.: |
AB3C12D13 (1) |
Weight, g/mol: |
673.50701 |
ΔHf, kcal/mol: |
179.11 |
Dipole, Da: |
3.27 |
IP(EA), eV: |
-9.16(-1.25) |
Spin(Sz, S2): |
None, None |
Charge, e: |
0 |
Chem-info
IUPAC name:
ethyl 4-[(3aR,5aR,5bR,7aR,11aS,11bR,13aS)-3a-[(1R)-2-(cyclopropylmethylamino)-1-hydroxyethyl]-5a,5b,8,8,11a-pentamethyl-2-oxo-1-propan-2-yl-4,5,6,7,7a,11,11b,12,13,13a-decahydro-3H-cyclopenta[a]chrysen-9-yl]cyclohex-3-ene-1-carboxylate