Geometry & MOs

Info

ID:	131140
PubChem CID:	51162100
Reduced:	SN3O3C14H15 (1)
Stoich.:	AB3C3D14E15 (1)
Weight, g/mol:	314.101505
ΔH_f, kcal/mol:	-65.34
Dipole, Da:	9.29
IP(EA), eV:	-8.9(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-nitro-N-[1-oxo-1-(pyridin-3-ylamino)propan-2-yl]benzamide

Drug info:

PubChemData

Smile

CC(C(=O)NC1=CN=CC=C1)NS(=O)(=O)C2=CC=CC=C2

DOS

IR

Vibrations