Geometry & MOs

Info

ID:	23927
PubChem CID:	607134
Reduced:	ClNOSH14C17 (1)
Stoich.:	ABCDE14F17 (1)
Weight, g/mol:	315.048463
ΔH_f, kcal/mol:	1.3
Dipole, Da:	4.73
IP(EA), eV:	-8.49(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-chloro-N-(2,4-dimethylphenyl)-1-benzothiophene-2-carboxamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations