Geometry & MOs

Info

ID:	23928
PubChem CID:	607135
Reduced:	ClNSO2H12C16 (1)
Stoich.:	ABCD2E12F16 (1)
Weight, g/mol:	317.027728
ΔH_f, kcal/mol:	-20.17
Dipole, Da:	5.43
IP(EA), eV:	-8.34(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-chloro-N-(4-methoxyphenyl)-1-benzothiophene-2-carboxamide

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)NC(=O)C2=C(C3=CC=CC=C3S2)Cl

DOS

IR

Vibrations