Geometry & MOs

Info

ID:	289906
PubChem CID:	104385406
Reduced:	ClOSN3C13H18 (1)
Stoich.:	ABCD3E13F18 (1)
Weight, g/mol:	264.104482
ΔH_f, kcal/mol:	-28.69
Dipole, Da:	7.0
IP(EA), eV:	-8.65(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]pyridine-2-carbothioamide

Drug info:

PubChemData

Smile

CCN(CC)C(=O)CNC1=C(C=C(C=C1)Cl)C(=S)N

DOS

IR

Vibrations