Geometry & MOs

Info

ID:	66217
PubChem CID:	46500442
Reduced:	SO4N5H11C14 (1)
Stoich.:	AB4C5D11E14 (1)
Weight, g/mol:	442.12772
ΔH_f, kcal/mol:	53.44
Dipole, Da:	2.45
IP(EA), eV:	-10.27(-1.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(E)-[(5-methyl-7-nitro-3-phenyl-1H-indole-2-carbonyl)hydrazinylidene]methyl]benzoic acid

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)S(=O)(=O)C2=NN(N=N2)CC3=CC=C(C=C3)[N+](=O)[O-]

DOS

IR

Vibrations