Geometry & MOs

Info

ID:	156133
PubChem CID:	56369255
Reduced:	ClN2O2C19H23 (1)
Stoich.:	AB2C2D19E23 (1)
Weight, g/mol:	490.170848
ΔH_f, kcal/mol:	-64.12
Dipole, Da:	6.95
IP(EA), eV:	-8.67(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(dimethylsulfamoyl)-N-[2-[2-methyl-4-(thiomorpholin-4-ylmethyl)anilino]-2-oxoethyl]benzamide

Drug info:

PubChemData

Smile

CCN(CC1=CC=C(C=C1)C(=O)NC2=C(C=CC(=C2)Cl)O)C(C)C

DOS

IR

Vibrations