Geometry & MOs

Info

ID:

337241

PubChem CID:

127256806

Reduced:

S2N3O3C20H21 (1)

Stoich.:

A2B3C3D20E21 (1)

Weight, g/mol:

551.239336

ΔHf, kcal/mol:

10.74

Dipole, Da:

8.51

IP(EA), eV:

 -9.08(-1.22)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-N-[4-[[2-(diaminomethylidene)hydrazinyl]methylideneamino]phenyl]-1-N-[4-[(1-methyl-2H-pyridin-5-yl)carbamoyl]phenyl]benzene-1,4-dicarboxamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)O.CN\1CCS/C1=C\C2=NC(=N)C3=CC=CC=C32

DOS

IR

Vibrations