Geometry & MOs

Info

ID:

188544

PubChem CID:

77730877

Reduced:

OF2C35H46 (1)

Stoich.:

AB2C35D46 (1)

Weight, g/mol:

506.398462

ΔHf, kcal/mol:

-156.87

Dipole, Da:

2.34

IP(EA), eV:

 -9.1(0.0)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4,4,10,13-tetramethyl-17-[1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-yl]-1,2,3,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-ol

Drug info:

PubChemData

Smile

CC=CCCC1CCC(CC1)C2=CC=C(C=C2)C(OC(C)C3=CC=C(C=C3)C4CCC(CC4)C=CC)(F)F

DOS

IR

Vibrations