Geometry & MOs

Info

ID:

43151

PubChem CID:

10318924

Reduced:

N4O5C20H26 (1)

Stoich.:

A4B5C20D26 (1)

Weight, g/mol:

402.204239

ΔHf, kcal/mol:

-139.02

Dipole, Da:

6.29

IP(EA), eV:

 -9.4(-0.55)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl (8S,9S,10R,11S,13S,14S,16R)-11-hydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-3-oxo-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-16-carboxylate

Drug info:

PubChemData

Smile

CC(C)C[C@H]([C@H](C/C=C/C1=CC=CC=C1)C(=O)NO)C(=O)NN2CC(=O)NC2=O

DOS

IR

Vibrations