Geometry & MOs

Info

ID:	29404
PubChem CID:	833554
Reduced:	OSCl2N2H10C11 (1)
Stoich.:	ABC2D2E10F11 (1)
Weight, g/mol:	345.059028
ΔH_f, kcal/mol:	-9.86
Dipole, Da:	4.27
IP(EA), eV:	-8.99(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-chloro-6-methoxy-N-(2-phenylethyl)-1-benzothiophene-2-carboxamide

Drug info:

PubChemData

Smile

C1CC1C(=O)NC(=S)NC2=C(C=C(C=C2)Cl)Cl

DOS

IR

Vibrations