Geometry & MOs

Info

ID:

160239

PubChem CID:

57309585

Reduced:

ClN2O4C28H41 (1)

Stoich.:

AB2C4D28E41 (1)

Weight, g/mol:

396.339216

ΔHf, kcal/mol:

-142.59

Dipole, Da:

3.06

IP(EA), eV:

 -8.37(-0.59)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(3S,10S,13R,17R)-17-[(2R,5R)-5,6-dimethylhept-3-en-2-yl]-10,13-dimethyl-2,3,4,5,6,7,11,12,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-ol

Drug info:

PubChemData

Smile

CCCCCCCC(CCC(C(=O)N(NC1=CC=CC=C1)O)Cl)OC2=C(C=C(C=C2)O)C(C)(C)C

DOS

IR

Vibrations