Geometry & MOs

Info

ID:

138562

PubChem CID:

52385308

Reduced:

O2C19H30 (1)

Stoich.:

A2B19C30 (1)

Weight, g/mol:

391.284835

ΔHf, kcal/mol:

-125.33

Dipole, Da:

2.31

IP(EA), eV:

 -10.03(0.86)

Spin(Sz, S2):

 None, None

Charge, e:

 -1

Chem-info

IUPAC name:

(4R)-4-[(3R,5S,6S,8R,9R,10R,13S,14R,17R)-3,6-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoate

Drug info:

PubChemData

Smile

C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@H]2O)CC[C@@H]4[C@@]3(C=C[C@H](C4)O)C

DOS

IR

Vibrations