Geometry & MOs

Info

ID:	374451
PubChem CID:	131329753
Reduced:	BrFNO2H9C10 (1)
Stoich.:	ABCD2E9F10 (1)
Weight, g/mol:	289.95764
ΔH_f, kcal/mol:	-111.36
Dipole, Da:	5.15
IP(EA), eV:	-9.94(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(bromomethyl)-6-(difluoromethyl)-7-methyl-1-benzothiophene

Drug info:

PubChemData

Smile

C1C[C@](C2=C(C=CC(=C21)F)Br)(C(=O)O)N

DOS

IR

Vibrations