Geometry & MOs

Info

ID:

54706

PubChem CID:

17389134

Reduced:

O4N7H13C17 (1)

Stoich.:

A4B7C13D17 (1)

Weight, g/mol:

674.18736

ΔHf, kcal/mol:

94.14

Dipole, Da:

5.33

IP(EA), eV:

 -8.96(-2.12)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[(Z)-3-[(2E)-2-[(2E)-2-[[(Z)-2-benzamido-3-(3-nitrophenyl)prop-2-enoyl]hydrazinylidene]ethylidene]hydrazinyl]-1-(3-nitrophenyl)-3-oxoprop-1-en-2-yl]benzamide

Drug info:

PubChemData

Smile

COC1=C/C(=C/NNC2=NC3=C(C4=CC=CC=C4N3)N=N2)/C=C(C1=O)[N+](=O)[O-]

DOS

IR

Vibrations