Geometry & MOs

Info

ID:

188908

PubChem CID:

77782829

Reduced:

N2O3H16C20 (1)

Stoich.:

A2B3C16D20 (1)

Weight, g/mol:

582.262896

ΔHf, kcal/mol:

-46.19

Dipole, Da:

8.13

IP(EA), eV:

 -9.32(-1.03)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[2-(17-ethoxycarbonyloxy-9-fluoro-11-hydroxy-6,10,13-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl)-2-oxoethyl] 2-phenylacetate

Drug info:

PubChemData

Smile

CC(=CC(=O)NC1=NC=CC(=C1)C(=O)O)C2=CC3=CC=CC=C3C=C2

DOS

IR

Vibrations