Geometry & MOs

Info

ID:	158550
PubChem CID:	56464162
Reduced:	N2S3O5C16H20 (1)
Stoich.:	A2B3C5D16E20 (1)
Weight, g/mol:	426.99504
ΔH_f, kcal/mol:	-163.97
Dipole, Da:	7.42
IP(EA), eV:	-8.85(-1.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-ethylsulfonylethyl)-2-iodo-4,5-dimethoxybenzamide

Drug info:

PubChemData

Smile

CCS(=O)(=O)CCNC(=O)C1=C(C=CS1)S(=O)(=O)NC2=CC=C(C=C2)C

DOS

IR

Vibrations