Geometry & MOs

Info

ID:	205310
PubChem CID:	80084772
Reduced:	ClON5C14H14 (1)
Stoich.:	ABC5D14E14 (1)
Weight, g/mol:	366.94333
ΔH_f, kcal/mol:	67.3
Dipole, Da:	1.38
IP(EA), eV:	-9.15(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-bromo-4-chlorophenyl)-2,3-dihydro-1-benzothiophene-3-carboxamide

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1NC(=O)CCN2C=CN=N2)C#CCN)Cl

DOS

IR

Vibrations