Geometry & MOs

Info

ID:

1375

PubChem CID:

4265

Reduced:

O8C27H44 (1)

Stoich.:

A8B27C44 (1)

Weight, g/mol:

496.303618

ΔHf, kcal/mol:

-410.8

Dipole, Da:

4.4

IP(EA), eV:

 -9.86(-0.65)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

17-(2,3-dihydroxy-6-methylheptan-2-yl)-2,3,5,11,14-pentahydroxy-10,13-dimethyl-1,2,3,4,9,11,12,15,16,17-decahydrocyclopenta[a]phenanthren-6-one

Drug info:

PubChemData

Smile

CC(C)CCC(C(C)(C1CCC2(C1(CC(C3C2=CC(=O)C4(C3(CC(C(C4)O)O)C)O)O)C)O)O)O

DOS

IR

Vibrations