Geometry & MOs

Info

ID:	30843
PubChem CID:	841998
Reduced:	OSCl2N2H10C15 (1)
Stoich.:	ABC2D2E10F15 (1)
Weight, g/mol:	335.989089
ΔH_f, kcal/mol:	8.54
Dipole, Da:	1.64
IP(EA), eV:	-9.06(-1.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,6-dichloro-N-(3-methylpyridin-2-yl)-1-benzothiophene-2-carboxamide

Drug info:

PubChemData

Smile

CC1=CN=C(C=C1)NC(=O)C2=C(C3=C(S2)C=C(C=C3)Cl)Cl

DOS

IR

Vibrations