Geometry & MOs

Info

ID:	205114
PubChem CID:	80057789
Reduced:	FSO2C9H9 (1)
Stoich.:	ABC2D9E9 (1)
Weight, g/mol:	242.077679
ΔH_f, kcal/mol:	-115.12
Dipole, Da:	5.95
IP(EA), eV:	-9.6(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3-(3-fluorophenyl)sulfanylbutanoate

Drug info:

PubChemData

Smile

CC(C(=O)O)SC1=CC=CC(=C1)F

DOS

IR

Vibrations