Geometry & MOs

Info

ID:	22368
PubChem CID:	597020
Reduced:	ClNOSH14C15 (1)
Stoich.:	ABCDE14F15 (1)
Weight, g/mol:	291.048463
ΔH_f, kcal/mol:	-18.54
Dipole, Da:	5.31
IP(EA), eV:	-8.98(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-chlorophenyl)-4,5,6,7-tetrahydro-2-benzothiophene-1-carboxamide

Drug info:

PubChemData

Smile

C1CCC2=C(SC=C2C1)C(=O)NC3=CC(=CC=C3)Cl

DOS

IR

Vibrations