Geometry & MOs

Info

ID:	373163
PubChem CID:	131310917
Reduced:	BrClSF2H6C10 (1)
Stoich.:	ABCD2E6F10 (1)
Weight, g/mol:	309.90302
ΔH_f, kcal/mol:	-74.21
Dipole, Da:	3.59
IP(EA), eV:	-9.02(-1.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(bromomethyl)-4-chloro-5-(difluoromethyl)-1-benzothiophene

Drug info:

PubChemData

Smile

C1=CC2=C(C(=C1)Cl)C(=C(S2)C(F)F)CBr

DOS

IR

Vibrations