Geometry & MOs

Info

ID:	21075
PubChem CID:	587102
Reduced:	ClOSN2H9C13 (1)
Stoich.:	ABCD2E9F13 (1)
Weight, g/mol:	276.012412
ΔH_f, kcal/mol:	44.23
Dipole, Da:	3.07
IP(EA), eV:	-9.56(-1.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-chlorobenzoyl)pyridine-4-carboximidothioic acid

Drug info:

PubChemData

Smile

C1=CC(=CC=C1C(=O)C2=NC=CC(=C2)C(=N)S)Cl

DOS

IR

Vibrations