Geometry & MOs

Info

ID:	246716
PubChem CID:	103064726
Reduced:	OSN3C16H19 (1)
Stoich.:	ABC3D16E19 (1)
Weight, g/mol:	281.083413
ΔH_f, kcal/mol:	-6.11
Dipole, Da:	3.16
IP(EA), eV:	-8.64(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(methylamino)-2-nitro-N-(thiolan-3-yl)benzamide

Drug info:

PubChemData

Smile

CCNC1=NC2=CC=CC=C2C(=C1)C(=O)NC3CCSC3

DOS

IR

Vibrations