Geometry & MOs

Info

ID:	371672
PubChem CID:	131270271
Reduced:	BrSF2H11C12 (1)
Stoich.:	ABC2D11E12 (1)
Weight, g/mol:	303.97329
ΔH_f, kcal/mol:	-79.11
Dipole, Da:	3.92
IP(EA), eV:	-8.9(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(bromomethyl)-5-(difluoromethyl)-3-ethyl-1-benzothiophene

Drug info:

PubChemData

Smile

CCC1=CSC2=C1C=CC(=C2C(F)F)CBr

DOS

IR

Vibrations