Geometry & MOs

Info

ID:	374648
PubChem CID:	131342118
Reduced:	ClNSH12C13 (1)
Stoich.:	ABCD12E13 (1)
Weight, g/mol:	355.85045
ΔH_f, kcal/mol:	39.85
Dipole, Da:	2.05
IP(EA), eV:	-8.8(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-6-(bromomethyl)-2-(difluoromethyl)-1-benzothiophene

Drug info:

PubChemData

Smile

CCC1=C2C(=C(C=C1CC#N)CCl)C=CS2

DOS

IR

Vibrations