Geometry & MOs

Info

ID:

179197

PubChem CID:

76450241

Reduced:

O4C29H50 (1)

Stoich.:

A4B29C50 (1)

Weight, g/mol:

518.397125

ΔHf, kcal/mol:

-267.37

Dipole, Da:

4.09

IP(EA), eV:

 -9.27(1.36)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[3,5,6-trihydroxy-10,13-dimethyl-17-[1-[2-methyl-2-(3-methylbutan-2-yl)cyclopropyl]ethyl]-1,2,3,4,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-11-yl] acetate

Drug info:

PubChemData

Smile

CC(C)C(C)C(=CC(C)C1CCC2C1(CC(C3C2CC(C4(C3(CCC(C4)O)C)O)O)O)C)C

DOS

IR

Vibrations