Geometry & MOs

Info

ID:	26415
PubChem CID:	647111
Reduced:	ClSN4O4C21H21 (1)
Stoich.:	ABC4D4E21F21 (1)
Weight, g/mol:	328.03402
ΔH_f, kcal/mol:	-69.65
Dipole, Da:	9.6
IP(EA), eV:	-8.61(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(1-methylbenzimidazol-2-yl)sulfanyl-1-benzothiophene 1,1-dioxide

Drug info:

PubChemData

Smile

CCC(=O)NC1=C(C=C(C=C1)C(=O)CSC2=NN=C(O2)CNC3=CC=C(C=C3)Cl)OC

DOS

IR

Vibrations