Geometry & MOs

Info

ID:

186292

PubChem CID:

77414501

Reduced:

O15C25H32 (1)

Stoich.:

A15B25C32 (1)

Weight, g/mol:

438.180916

ΔHf, kcal/mol:

-595.1

Dipole, Da:

2.87

IP(EA), eV:

 -8.67(-0.66)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[2-(2-chloro-11,17-dihydroxy-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl)-2-oxoethyl] acetate

Drug info:

PubChemData

Smile

COC1C(CC2C(C1OC(=O)O)C(=O)C(=CO2)C3=CC(=C(C(=C3)OC)OC)O)OC4C(C(C(C(O4)CO)O)O)O

DOS

IR

Vibrations