Geometry & MOs

Info

ID:

43924

PubChem CID:

10322072

Reduced:

NO4C29H35 (1)

Stoich.:

AB4C29D35 (1)

Weight, g/mol:

461.25998

ΔHf, kcal/mol:

-126.71

Dipole, Da:

3.49

IP(EA), eV:

 -8.82(0.06)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

ethyl 2-[[(3S,8S,9S,10R,13S,14S,17S)-3-acetyloxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-17-carbothioyl]amino]acetate

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1CC3=CC=C(O3)C(=O)NC4=C(C=CC=C4OC)OC)C(CCC2(C)C)(C)C

DOS

IR

Vibrations