Geometry & MOs

Info

ID:	225369
PubChem CID:	85756521
Reduced:	ClO2N3H12C16 (1)
Stoich.:	AB2C3D12E16 (1)
Weight, g/mol:	342.067428
ΔH_f, kcal/mol:	-3.8
Dipole, Da:	7.15
IP(EA), eV:	-8.97(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[5-(4-carboxyphenyl)-2-sulfanylideneimidazolidin-4-yl]benzoic acid

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)NC(=O)NC2=CC(=C(C=C2)C3=CN=CO3)Cl

DOS

IR

Vibrations