Geometry & MOs

Info

ID:

51196

PubChem CID:

12013832

Reduced:

O2N6H30C39 (1)

Stoich.:

A2B6C30D39 (1)

Weight, g/mol:

808.327423

ΔHf, kcal/mol:

144.39

Dipole, Da:

3.62

IP(EA), eV:

 -8.25(-1.17)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(3Z)-4-[(E)-N-anilino-C-phenylcarbonimidoyl]-1-[(2,5-diphenyl-3,4-dihydropyrazol-3-yl)methyl]-3-(5-oxo-1,3-diphenylpyrazol-4-ylidene)quinoxalin-2-one

Drug info:

PubChemData

Smile

C1C(N(N=C1C2=CC=CC=C2)C3=CC=CC=C3)CN4C5=CC=CC=C5N=C(C4=O)C6=C(NN(C6=O)C7=CC=CC=C7)C8=CC=CC=C8

DOS

IR

Vibrations