Geometry & MOs

Info

ID:	288517
PubChem CID:	104318028
Reduced:	FNO3C12H12 (1)
Stoich.:	ABC3D12E12 (1)
Weight, g/mol:	150.071451
ΔH_f, kcal/mol:	-139.45
Dipole, Da:	3.22
IP(EA), eV:	-9.38(-1.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2-hydroxyethylsulfanyl)butan-2-ol

Drug info:

PubChemData

Smile

CC(CCN1C2=C(C=C(C=C2)F)C(=O)C1=O)O

DOS

IR

Vibrations