Geometry & MOs

Info

ID:

21115

PubChem CID:

587271

Reduced:

ClO2C16H19 (3)

Stoich.:

AB2C16D19 (3)

Weight, g/mol:

834.322073

ΔHf, kcal/mol:

-263.13

Dipole, Da:

4.48

IP(EA), eV:

 -9.37(-0.9)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[6-[3,16-bis[(4-chlorobenzoyl)oxy]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methylheptyl] 4-chlorobenzoate

Drug info:

PubChemData

Smile

CC(CCCC(C)C1C(CC2C1(CCC3C2CCC4C3(CCC(C4)OC(=O)C5=CC=C(C=C5)Cl)C)C)OC(=O)C6=CC=C(C=C6)Cl)COC(=O)C7=CC=C(C=C7)Cl

DOS

IR

Vibrations