Geometry & MOs

Info

ID:	246699
PubChem CID:	103064662
Reduced:	OSN3C14H15 (1)
Stoich.:	ABC3D14E15 (1)
Weight, g/mol:	295.099063
ΔH_f, kcal/mol:	0.91
Dipole, Da:	4.35
IP(EA), eV:	-8.79(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CSCC1NC(=O)C2=CC(=NC3=CC=CC=C32)N

DOS

IR

Vibrations