Geometry & MOs

Info

ID:	373804
PubChem CID:	131320210
Reduced:	BrSO3H7C10 (1)
Stoich.:	ABC3D7E10 (1)
Weight, g/mol:	293.93257
ΔH_f, kcal/mol:	-82.46
Dipole, Da:	2.65
IP(EA), eV:	-9.49(-1.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(bromomethyl)-5-(difluoromethyl)-6-fluoro-1-benzothiophene

Drug info:

PubChemData

Smile

C1=CSC2=C1C(=CC(=C2CO)Br)C(=O)O

DOS

IR

Vibrations