Geometry & MOs

Info

ID:	202695
PubChem CID:	79710058
Reduced:	FOSC14H17 (1)
Stoich.:	ABCD14E17 (1)
Weight, g/mol:	277.068511
ΔH_f, kcal/mol:	-47.92
Dipole, Da:	5.28
IP(EA), eV:	-8.76(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[3-fluoro-5-(1H-1,2,4-triazol-5-ylsulfanylmethyl)phenyl]but-3-yn-1-ol

Drug info:

PubChemData

Smile

CC(C)(C)SCC1=CC(=CC(=C1)F)C#CCO

DOS

IR

Vibrations