Geometry & MOs

Info

ID:	28951
PubChem CID:	830840
Reduced:	SN3O3H9C16 (1)
Stoich.:	AB3C3D9E16 (1)
Weight, g/mol:	292.084792
ΔH_f, kcal/mol:	65.45
Dipole, Da:	5.73
IP(EA), eV:	-9.08(-1.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-phenylimidazole-1-carbonyl)benzoic acid

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)/C=C/2\C(=O)N3C4=CC=CC=C4N=C3S2)[N+](=O)[O-]

DOS

IR

Vibrations