Geometry & MOs

Info

ID:	21144
PubChem CID:	587336
Reduced:	ClOSN2H13C16 (1)
Stoich.:	ABCD2E13F16 (1)
Weight, g/mol:	316.043712
ΔH_f, kcal/mol:	20.3
Dipole, Da:	6.45
IP(EA), eV:	-8.99(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)benzamide

Drug info:

PubChemData

Smile

C1CCC2=C(C1)C(=C(S2)NC(=O)C3=CC=CC=C3Cl)C#N

DOS

IR

Vibrations