Geometry & MOs

Info

ID:	197318
PubChem CID:	78952003
Reduced:	FOSC12H17 (1)
Stoich.:	ABCD12E17 (1)
Weight, g/mol:	252.062029
ΔH_f, kcal/mol:	-97.15
Dipole, Da:	3.11
IP(EA), eV:	-8.57(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R)-1-[2-fluoro-6-(furan-2-ylmethylsulfanyl)phenyl]ethanol

Drug info:

PubChemData

Smile

C[C@@H](C1=CC(=C(C=C1)SCC(C)C)F)O

DOS

IR

Vibrations