Geometry & MOs

Info

ID:	31679
PubChem CID:	856011
Reduced:	SN2O2H14C19 (1)
Stoich.:	AB2C2D14E19 (1)
Weight, g/mol:	343.079763
ΔH_f, kcal/mol:	38.18
Dipole, Da:	3.49
IP(EA), eV:	-8.8(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-chloro-N-(2-ethyl-6-methylphenyl)-6-methyl-1-benzothiophene-2-carboxamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CSC2=NN=C(O2)C3=CC4=CC=CC=C4C=C3O

DOS

IR

Vibrations