Geometry & MOs

Info

ID:	268947
PubChem CID:	103602883
Reduced:	SN3O3C12H13 (1)
Stoich.:	AB3C3D12E13 (1)
Weight, g/mol:	323.964141
ΔH_f, kcal/mol:	-2.81
Dipole, Da:	4.16
IP(EA), eV:	-10.27(-2.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-chloro-1,1-dioxothiolan-3-yl)-5-nitrothiophene-2-carboxamide

Drug info:

PubChemData

Smile

C1CCC(CC1)(C#N)NC(=O)C2=CC=C(S2)[N+](=O)[O-]

DOS

IR

Vibrations