Geometry & MOs

Info

ID:	174703
PubChem CID:	75806478
Reduced:	NSO2H8C11 (2)
Stoich.:	ABC2D8E11 (2)
Weight, g/mol:	288.109664
ΔH_f, kcal/mol:	-47.88
Dipole, Da:	5.21
IP(EA), eV:	-9.4(-1.67)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

N-[3-(1H-imidazol-3-ium-3-yl)propyl]-N'-(4-oxopyridin-3-ylidene)oxamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)CSC3=C(C4=NC(=O)C=C(C4S3)O)C(=O)N

DOS

IR

Vibrations