Geometry & MOs

Info

ID:

170282

PubChem CID:

75214664

Reduced:

O2C21H30 (2)

Stoich.:

A2B21C30 (2)

Weight, g/mol:

712.47029

ΔHf, kcal/mol:

-233.74

Dipole, Da:

5.57

IP(EA), eV:

 -9.58(-0.25)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[7-[4-(17-acetyloxy-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-7-yl)but-2-enyl]-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl] acetate

Drug info:

PubChemData

Smile

CC12CCC3C(C1CCC2O)C(CC4=CC(=O)CCC34C)CC=CCC5CC6=CC(=O)CCC6(C7C5C8CCC(C8(CC7)C)O)C

DOS

IR

Vibrations