Geometry & MOs

Info

ID:	374452
PubChem CID:	131329757
Reduced:	BrSF2H9C11 (1)
Stoich.:	ABC2D9E11 (1)
Weight, g/mol:	289.95764
ΔH_f, kcal/mol:	-74.12
Dipole, Da:	3.11
IP(EA), eV:	-8.8(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(bromomethyl)-4-(difluoromethyl)-6-methyl-1-benzothiophene

Drug info:

PubChemData

Smile

CC1=C2C(=CC(=C1C(F)F)CBr)C=CS2

DOS

IR

Vibrations