Geometry & MOs

Info

ID:	60628
PubChem CID:	26697309
Reduced:	OSN2C18H18 (1)
Stoich.:	ABC2D18E18 (1)
Weight, g/mol:	452.117271
ΔH_f, kcal/mol:	6.33
Dipole, Da:	2.84
IP(EA), eV:	-8.67(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(5-chloro-2,4-dimethoxyphenyl)-methylsulfamoyl]-N-cyclopentylbenzamide

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)NC(=O)CCC2=NC3=CC=CC=C3S2

DOS

IR

Vibrations