Geometry & MOs

Info

ID:	372911
PubChem CID:	131306977
Reduced:	BrOSF2H9C11 (1)
Stoich.:	ABCD2E9F11 (1)
Weight, g/mol:	305.95256
ΔH_f, kcal/mol:	-117.78
Dipole, Da:	2.54
IP(EA), eV:	-8.57(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(bromomethyl)-3-(difluoromethoxy)-6-methyl-1-benzothiophene

Drug info:

PubChemData

Smile

CC1=CC(=CC2=C1SC=C2OC(F)F)CBr

DOS

IR

Vibrations