Geometry & MOs

Info

ID:

214545

PubChem CID:

85083173

Reduced:

O4C35H62 (1)

Stoich.:

A4B35C62 (1)

Weight, g/mol:

546.238431

ΔHf, kcal/mol:

-169.99

Dipole, Da:

1.53

IP(EA), eV:

 -8.96(0.29)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)CCCC1(C(CC2(C(C1(C(=O)C(=C2O)CCC(C)C)C(C(C)C)O)O)CC=C(C)C)CCC(C)C)C

DOS

IR

Vibrations