Geometry & MOs

Info

ID:

230656

PubChem CID:

87571572

Reduced:

ClN2O3C18H19 (1)

Stoich.:

AB2C3D18E19 (1)

Weight, g/mol:

452.280571

ΔHf, kcal/mol:

-82.75

Dipole, Da:

3.87

IP(EA), eV:

 -9.06(-1.12)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(3E,4R,6S,8R,9S,10R,13S,14S)-4-ethyl-6-hydroxy-10,13-dimethyl-3-[(3R)-pyrrolidin-3-yl]oxyimino-2,4,5,6,7,8,9,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-17-one;hydrochloride

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)NC1=CC=CC(=C1)C(=O)N(C2=CC=CC=C2)Cl

DOS

IR

Vibrations