Geometry & MOs

Info

ID:	23898
PubChem CID:	607038
Reduced:	ClINOSH9C15 (1)
Stoich.:	ABCDEF9G15 (1)
Weight, g/mol:	412.91381
ΔH_f, kcal/mol:	34.94
Dipole, Da:	6.27
IP(EA), eV:	-8.87(-1.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C(=C(S2)C(=O)NC3=CC=C(C=C3)I)Cl

DOS

IR

Vibrations