Geometry & MOs

Info

ID:

327127

PubChem CID:

126689056

Reduced:

ClN2O2H9C17 (1)

Stoich.:

AB2C2D9E17 (1)

Weight, g/mol:

507.219178

ΔHf, kcal/mol:

70.68

Dipole, Da:

6.44

IP(EA), eV:

 -9.29(-2.08)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[17-cyano-17-hydroxy-13-methyl-15-[3-[(5-methyl-1,3-thiazol-2-yl)amino]-3-oxopropyl]-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-yl] acetate

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C=CC3=C2N=C4C=CC(=CC4=C3Cl)[N+](=O)[O-]

DOS

IR

Vibrations