Geometry & MOs

Info

ID:	131170
PubChem CID:	51169441
Reduced:	SCl2N2O3C16H16 (1)
Stoich.:	AB2C2D3E16F16 (1)
Weight, g/mol:	390.124943
ΔH_f, kcal/mol:	-92.78
Dipole, Da:	7.68
IP(EA), eV:	-9.38(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[[2-(2,3-dimethylanilino)-2-oxoethyl]-methylsulfamoyl]benzoate

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)S(=O)(=O)N(C)CC(=O)NC2=C(C=CC=C2Cl)Cl

DOS

IR

Vibrations