Geometry & MOs

Info

ID:

388992

PubChem CID:

134990841

Reduced:

O2C11H15 (2)

Stoich.:

A2B11C15 (2)

Weight, g/mol:

444.251189

ΔHf, kcal/mol:

-174.26

Dipole, Da:

3.73

IP(EA), eV:

 -9.82(-0.1)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[2-[(3S,8R,9S,10R,13S,14S,17R)-3-acetyloxy-17-hydroxy-10,13-dimethyl-16-methylidene-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl] acetate

Drug info:

PubChemData

Smile

C[C@]12CCC(=O)C=C1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CC(=C)[C@@]4(C(=O)CO)O)C

DOS

IR

Vibrations