Geometry & MOs

Info

ID:	449503
PubChem CID:	135299124
Reduced:	ON7H19C26 (1)
Stoich.:	AB7C19D26 (1)
Weight, g/mol:	445.94334
ΔH_f, kcal/mol:	129.94
Dipole, Da:	9.11
IP(EA), eV:	-8.79(-1.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-iodo-2-[(2E)-2-[(2-sulfophenyl)methylidene]hydrazinyl]benzoic acid

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CC(=O)NC2=CN=CC(=C2)C3=NC\4=C(C=C3)N=C/C4=C/5\NC6=C(N5)C=NC=C6

DOS

IR

Vibrations