Geometry & MOs

Info

ID:	28287
PubChem CID:	826818
Reduced:	BrClFNSH6C13 (1)
Stoich.:	ABCDEF6G13 (1)
Weight, g/mol:	285.118735
ΔH_f, kcal/mol:	32.13
Dipole, Da:	2.47
IP(EA), eV:	-9.51(-1.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC(=CC=C1SC2=C(C=C(C(=C2)Br)C#N)F)Cl

DOS

IR

Vibrations