Geometry & MOs

Info

ID:	129758
PubChem CID:	51073754
Reduced:	NS2O3C13H17 (1)
Stoich.:	AB2C3D13E17 (1)
Weight, g/mol:	344.067822
ΔH_f, kcal/mol:	-114.14
Dipole, Da:	4.98
IP(EA), eV:	-8.78(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1,1-dioxothiolan-3-yl)-4,5-dimethoxy-2-nitrobenzamide

Drug info:

PubChemData

Smile

C1CS(=O)(=O)CC1NC(=O)CCSC2=CC=CC=C2

DOS

IR

Vibrations