Geometry & MOs

Info

ID:

21791

PubChem CID:

590112

Reduced:

ClO2C31H53 (1)

Stoich.:

AB2C31D53 (1)

Weight, g/mol:

492.373409

ΔHf, kcal/mol:

-213.38

Dipole, Da:

4.27

IP(EA), eV:

 -10.02(0.86)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[5-chloro-17-(5-ethyl-6-methylheptan-2-yl)-10,13-dimethyl-1,2,3,4,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl] acetate

Drug info:

PubChemData

Smile

CCC(CCC(C)C1CCC2C1(CCC3C2CCC4(C3(CCC(C4)OC(=O)C)C)Cl)C)C(C)C

DOS

IR

Vibrations