Geometry & MOs

Info

ID:	21875
PubChem CID:	593020
Reduced:	FNSO2C12H16 (1)
Stoich.:	ABCD2E12F16 (1)
Weight, g/mol:	257.088578
ΔH_f, kcal/mol:	-128.24
Dipole, Da:	0.7
IP(EA), eV:	-9.19(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(4-fluorophenyl)sulfanylethyl]-4-hydroxybutanamide

Drug info:

PubChemData

Smile

C1=CC(=CC=C1F)SCCNC(=O)CCCO

DOS

IR

Vibrations