Geometry & MOs

Info

ID:	246736
PubChem CID:	103064754
Reduced:	OSN3C16H19 (1)
Stoich.:	ABC3D16E19 (1)
Weight, g/mol:	343.0354
ΔH_f, kcal/mol:	-7.0
Dipole, Da:	6.57
IP(EA), eV:	-8.59(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-2-(propylamino)-N-(thiolan-3-yl)pyridine-3-carboxamide

Drug info:

PubChemData

Smile

CCNC1=NC(=CC2=CC=CC=C21)C(=O)NC3CCSC3

DOS

IR

Vibrations