Geometry & MOs

Info

ID:	202694
PubChem CID:	79710057
Reduced:	FOSC15H19 (1)
Stoich.:	ABCD15E19 (1)
Weight, g/mol:	252.098414
ΔH_f, kcal/mol:	-68.15
Dipole, Da:	4.69
IP(EA), eV:	-8.7(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[3-(tert-butylsulfanylmethyl)-5-fluorophenyl]prop-2-yn-1-ol

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations