Geometry & MOs

Info

ID:

218399

PubChem CID:

85089381

Reduced:

O3C14H15 (2)

Stoich.:

A3B14C15 (2)

Weight, g/mol:

462.261754

ΔHf, kcal/mol:

-190.2

Dipole, Da:

1.06

IP(EA), eV:

 -8.88(-0.02)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3,4,5-trihydroxy-6-[(3-hydroxy-8,13-dimethyl-3,6,7,9,11,12,14,15,16,17-decahydro-2H-cyclopenta[a]phenanthren-17-yl)methyl]oxane-2-carboxylic acid

Drug info:

PubChemData

Smile

CC1(OC2C(C(OC2O1)COC(C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=C(C=C5)OC)O)C

DOS

IR

Vibrations