Geometry & MOs

Info

ID:	63957
PubChem CID:	26759564
Reduced:	N2S2O5C21H28 (1)
Stoich.:	A2B2C5D21E28 (1)
Weight, g/mol:	493.089676
ΔH_f, kcal/mol:	-192.99
Dipole, Da:	9.87
IP(EA), eV:	-8.67(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-chloro-N-[2-[3-(diethylsulfamoyl)-4-methylanilino]-2-oxoethyl]-1-benzothiophene-2-carboxamide

Drug info:

PubChemData

Smile

CCN(CC)S(=O)(=O)C1=C(C=CC(=C1)NC(=O)CCS(=O)(=O)C2=CC=C(C=C2)C)C

DOS

IR

Vibrations