Geometry & MOs

Info

ID:	285146
PubChem CID:	104098359
Reduced:	SN3O3C13H13 (1)
Stoich.:	AB3C3D13E13 (1)
Weight, g/mol:	277.052112
ΔH_f, kcal/mol:	5.74
Dipole, Da:	6.17
IP(EA), eV:	-8.99(-1.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(5-nitrothiophen-2-yl)methylamino]benzamide

Drug info:

PubChemData

Smile

CNC(=O)C1=CC(=CC=C1)NCC2=CC=C(S2)[N+](=O)[O-]

DOS

IR

Vibrations