Geometry & MOs

Info

ID:	202626
PubChem CID:	79701293
Reduced:	BrFSH14C15 (1)
Stoich.:	ABCD14E15 (1)
Weight, g/mol:	345.95716
ΔH_f, kcal/mol:	-18.73
Dipole, Da:	4.05
IP(EA), eV:	-8.73(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-bromo-5-fluorophenyl)-1-(4-chloro-2-fluorophenyl)ethanol

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)SCC2=CC(=CC(=C2)Br)F)C

DOS

IR

Vibrations