Geometry & MOs

Info

ID:	374453
PubChem CID:	131329759
Reduced:	BrSF2H9C11 (1)
Stoich.:	ABC2D9E11 (1)
Weight, g/mol:	293.93257
ΔH_f, kcal/mol:	-74.59
Dipole, Da:	2.71
IP(EA), eV:	-8.84(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC2=C(C=CS2)C(=C1CBr)C(F)F

DOS

IR

Vibrations