Geometry & MOs

Info

ID:	205111
PubChem CID:	80057316
Reduced:	SN2F4C8H8 (1)
Stoich.:	AB2C4D8E8 (1)
Weight, g/mol:	214.046379
ΔH_f, kcal/mol:	-142.14
Dipole, Da:	6.28
IP(EA), eV:	-9.28(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3-fluorophenyl)sulfanylbutanoic acid

Drug info:

PubChemData

Smile

CSCCNC1=C(C(=NC(=C1F)F)F)F

DOS

IR

Vibrations