Geometry & MOs

Info

ID:

308003

PubChem CID:

125311205

Reduced:

N4O4C21H24 (1)

Stoich.:

A4B4C21D24 (1)

Weight, g/mol:

620.462472

ΔHf, kcal/mol:

-94.78

Dipole, Da:

4.71

IP(EA), eV:

 -9.01(-1.05)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(3S,8R,9R,10R,13R,14R,17S)-4,4,10,13-tetramethyl-17-[(2S)-1-tri(propan-2-yl)silyloxypropan-2-yl]-1,2,3,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-yl] benzoate

Drug info:

PubChemData

Smile

C1C=CO[C@@H]1CN2C(=O)[C@H](NC2=O)CCC(=O)NCCC3=C4C=CC=CC4=NC3

DOS

IR

Vibrations