Geometry & MOs

Info

ID:

187850

PubChem CID:

77634957

Reduced:

O3N6C23H28 (1)

Stoich.:

A3B6C23D28 (1)

Weight, g/mol:

576.28986

ΔHf, kcal/mol:

0.6

Dipole, Da:

6.9

IP(EA), eV:

 -8.79(-1.38)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

6,9-difluoro-3-hydroxy-10,13,16-trimethyl-1-oxo-17-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)oxycarbonyloxy]-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthrene-17-carboxylic acid

Drug info:

PubChemData

Smile

CCN1C2=NC=C(C(=C2C=N1)NC3CCCCC3)C(=O)NC(C)C4=CC=C(C=C4)[N+](=O)[O-]

DOS

IR

Vibrations