Geometry & MOs

Info

ID:	246706
PubChem CID:	103064699
Reduced:	OSN3C11H15 (1)
Stoich.:	ABC3D11E15 (1)
Weight, g/mol:	309.114713
ΔH_f, kcal/mol:	-18.97
Dipole, Da:	5.17
IP(EA), eV:	-8.63(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-nitro-3-(propylamino)-N-(thiolan-3-yl)benzamide

Drug info:

PubChemData

Smile

CNC1=NC=C(C=C1)C(=O)NC2CCSC2

DOS

IR

Vibrations