Geometry & MOs

Info

ID:	23343
PubChem CID:	603152
Reduced:	BrOSN2H13C16 (1)
Stoich.:	ABCD2E13F16 (1)
Weight, g/mol:	359.9932
ΔH_f, kcal/mol:	31.2
Dipole, Da:	5.8
IP(EA), eV:	-9.05(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-bromo-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=C(C=C3)Br)C#N

DOS

IR

Vibrations