Geometry & MOs

Info

ID:

3967

PubChem CID:

10507

Reduced:

O6C27H40 (1)

Stoich.:

A6B27C40 (1)

Weight, g/mol:

460.282489

ΔHf, kcal/mol:

-312.57

Dipole, Da:

6.47

IP(EA), eV:

 -9.64(-0.12)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[2-(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] 3,3-dimethylbutanoate

Drug info:

PubChemData

Smile

CC12CCC(=O)C=C1CCC3C2C(CC4(C3CCC4(C(=O)COC(=O)CC(C)(C)C)O)C)O

DOS

IR

Vibrations