Geometry & MOs

Info

ID:	373581
PubChem CID:	131317496
Reduced:	BrClSO2H6C10 (1)
Stoich.:	ABCD2E6F10 (1)
Weight, g/mol:	286.92159
ΔH_f, kcal/mol:	-51.39
Dipole, Da:	5.02
IP(EA), eV:	-9.37(-1.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-bromo-5-(difluoromethyl)-1-benzothiophene-3-carbonitrile

Drug info:

PubChemData

Smile

C1=CC(=C2C(=C1)SC(=C2Br)CCl)C(=O)O

DOS

IR

Vibrations