Geometry & MOs

Info

ID:	246703
PubChem CID:	103064677
Reduced:	ClOSN3C13H18 (1)
Stoich.:	ABCD3E13F18 (1)
Weight, g/mol:	265.124883
ΔH_f, kcal/mol:	-34.27
Dipole, Da:	6.43
IP(EA), eV:	-8.64(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(propylamino)-N-(thiolan-3-yl)pyridine-3-carboxamide

Drug info:

PubChemData

Smile

CCCNC1=NC(=C(C=C1)Cl)C(=O)NC2CCSC2

DOS

IR

Vibrations