Geometry & MOs

Info

ID:	158602
PubChem CID:	56464286
Reduced:	SN4O4C22H30 (1)
Stoich.:	AB4C4D22E30 (1)
Weight, g/mol:	400.93494
ΔH_f, kcal/mol:	-82.82
Dipole, Da:	4.03
IP(EA), eV:	-9.57(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-chloro-N-(2-ethylsulfonylethyl)-2-iodobenzamide

Drug info:

PubChemData

Smile

CC1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NC(C3=NC(=NO3)C4CC4)C(C)C

DOS

IR

Vibrations