Geometry & MOs

Info

ID:

304852

PubChem CID:

124766239

Reduced:

N3O4C21H21 (1)

Stoich.:

A3B4C21D21 (1)

Weight, g/mol:

444.194817

ΔHf, kcal/mol:

-80.76

Dipole, Da:

3.27

IP(EA), eV:

 -8.4(-0.78)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[2-[(8R,9S,10S,11R,13S,14R)-11-acetyloxy-9-fluoro-10,13-dimethyl-3-oxo-7,8,11,12,14,15-hexahydro-6H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl] acetate

Drug info:

PubChemData

Smile

COC1=C2C=CC=NC2=C(C=C1)NC(=O)CN3C(=O)[C@@H]4[C@H]5CC[C@@H](C5)[C@H]4C3=O

DOS

IR

Vibrations