Geometry & MOs

Info

ID:

44699

PubChem CID:

10505442

Reduced:

PO2C33H37 (1)

Stoich.:

AB2C33D37 (1)

Weight, g/mol:

496.303618

ΔHf, kcal/mol:

14.45

Dipole, Da:

3.89

IP(EA), eV:

 -7.05(-0.11)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S,3R,5S,9R,10R,13R,14S,17S)-2,3,5,14-tetrahydroxy-10,13-dimethyl-17-[(2R,3R,6R)-2,3,7-trihydroxy-6-methylheptan-2-yl]-1,2,3,4,9,11,12,15,16,17-decahydrocyclopenta[a]phenanthren-6-one

Drug info:

PubChemData

Smile

COC(=O)CCC/C=C\C/C=C\C/C=C\CC=P(C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3

DOS

IR

Vibrations