Geometry & MOs

Info

ID:	285145
PubChem CID:	104098355
Reduced:	SO2N6H10C12 (1)
Stoich.:	AB2C6D10E12 (1)
Weight, g/mol:	291.067762
ΔH_f, kcal/mol:	133.52
Dipole, Da:	3.8
IP(EA), eV:	-9.12(-2.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC(=CC=C1NCC2=CC=C(S2)[N+](=O)[O-])N3C=NN=N3

DOS

IR

Vibrations