Geometry & MOs

Info

ID:	24517
PubChem CID:	610703
Reduced:	ClINOSH11C16 (1)
Stoich.:	ABCDEF11G16 (1)
Weight, g/mol:	426.92946
ΔH_f, kcal/mol:	25.02
Dipole, Da:	7.42
IP(EA), eV:	-8.97(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1)C(=C(S2)C(=O)NC3=CC(=CC=C3)I)Cl

DOS

IR

Vibrations