Geometry & MOs

Info

ID:

449953

PubChem CID:

135302780

Reduced:

NO2C28H41 (1)

Stoich.:

AB2C28D41 (1)

Weight, g/mol:

430.417466

ΔHf, kcal/mol:

-56.25

Dipole, Da:

3.45

IP(EA), eV:

 -8.44(-0.05)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC[C@H](C(=O)/C=C/C[C@@H](C1CCCC1)O)C2(CC2)CC/C(=C/C=C)/C3=C(NC=C3)C

DOS

IR

Vibrations