Geometry & MOs

Info

ID:	23896
PubChem CID:	607033
Reduced:	ClNOSH12C16 (1)
Stoich.:	ABCDE12F16 (1)
Weight, g/mol:	301.032813
ΔH_f, kcal/mol:	7.16
Dipole, Da:	3.31
IP(EA), eV:	-8.82(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-chloro-N-(3-methylphenyl)-1-benzothiophene-2-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)NC(=O)C2=C(C3=CC=CC=C3S2)Cl

DOS

IR

Vibrations