Geometry & MOs

Info

ID:	68389
PubChem CID:	46508322
Reduced:	S2N4O4C21H22 (1)
Stoich.:	A2B4C4D21E22 (1)
Weight, g/mol:	434.097014
ΔH_f, kcal/mol:	-98.81
Dipole, Da:	6.21
IP(EA), eV:	-8.59(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl] 6-methyl-2,3-dihydro-1-benzothiophene-2-carboxylate

Drug info:

PubChemData

Smile

C1CCC2=C(C1)C3=C(N=C(N=C3S2)COC(=O)C4=CC(=CC=C4)N5CCCS5(=O)=O)N

DOS

IR

Vibrations