Geometry & MOs

Info

ID:

220090

PubChem CID:

85165229

Reduced:

O5C18H28 (2)

Stoich.:

A5B18C28 (2)

Weight, g/mol:

648.312075

ΔHf, kcal/mol:

-493.42

Dipole, Da:

6.58

IP(EA), eV:

 -9.06(0.4)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[4-[13-methyl-3,17-bis(oxan-2-yloxy)-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-11-yl]phenyl]prop-2-ynyl methanesulfonate

Drug info:

PubChemData

Smile

CC1=C(C2C3=CCC4C(C3(CCC2(CC1)C(=O)OC5C(C(C(C(O5)CO)O)O)O)C)(CCC6C4(CC(C(C6(C)CO)O)O)C)C)C

DOS

IR

Vibrations