Geometry & MOs

Info

ID:

186136

PubChem CID:

77395980

Reduced:

N2O8H18C23 (1)

Stoich.:

A2B8C18D23 (1)

Weight, g/mol:

574.338228

ΔHf, kcal/mol:

-166.51

Dipole, Da:

4.78

IP(EA), eV:

 -10.23(-1.88)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

8-cyano-1,2,6,6,10,17,17-heptamethyl-7,13-dioxo-N-(2,2,2-trifluoroethyl)tetracyclo[12.8.0.02,11.05,10]docosa-8,11-diene-20-carboxamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C(C(C(=O)O)OC(=O)OC2=CC=C(C=C2)[N+](=O)[O-])NC(=O)C3=CC=CC=C3

DOS

IR

Vibrations