Geometry & MOs

Info

ID:	19684
PubChem CID:	570261
Reduced:	ClOSN3H16C17 (1)
Stoich.:	ABCD3E16F17 (1)
Weight, g/mol:	345.070261
ΔH_f, kcal/mol:	44.84
Dipole, Da:	2.52
IP(EA), eV:	-8.73(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-benzoyl-4-chlorophenyl)pyrazolidine-1-carboximidothioic acid

Drug info:

PubChemData

Smile

C1CNN(C1)C(=NC2=C(C=C(C=C2)Cl)C(=O)C3=CC=CC=C3)S

DOS

IR

Vibrations