Geometry & MOs

Info

ID:	284975
PubChem CID:	104086973
Reduced:	SO3C12H16 (1)
Stoich.:	AB3C12D16 (1)
Weight, g/mol:	254.077679
ΔH_f, kcal/mol:	-111.88
Dipole, Da:	4.78
IP(EA), eV:	-8.85(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[2-fluoro-4-(3-hydroxyprop-1-ynyl)phenyl]methylsulfanyl]propan-1-ol

Drug info:

PubChemData

Smile

CC(CO)SCC(=O)C1=CC=CC=C1OC

DOS

IR

Vibrations