Geometry & MOs

Info

ID:

4637

PubChem CID:

11786

Reduced:

O2C29H48 (1)

Stoich.:

A2B29C48 (1)

Weight, g/mol:

428.365431

ΔHf, kcal/mol:

-166.97

Dipole, Da:

2.41

IP(EA), eV:

 -9.12(0.96)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(3S,9S,14S,17R)-10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate

Drug info:

PubChemData

Smile

CC(C)CCCC(C)[C@H]1CC[C@@H]2C1(CC[C@H]3C2CC=C4C3(CC[C@@H](C4)OC(=O)C)C)C

DOS

IR

Vibrations