Geometry & MOs

Info

ID:	268946
PubChem CID:	103602882
Reduced:	SN3O3H9C13 (1)
Stoich.:	AB3C3D9E13 (1)
Weight, g/mol:	279.067762
ΔH_f, kcal/mol:	43.89
Dipole, Da:	2.39
IP(EA), eV:	-10.24(-2.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1-cyanocyclohexyl)-5-nitrothiophene-2-carboxamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C(C#N)NC(=O)C2=CC=C(S2)[N+](=O)[O-]

DOS

IR

Vibrations