Geometry & MOs

Info

ID:	205177
PubChem CID:	80064217
Reduced:	FSN2H15C16 (1)
Stoich.:	ABC2D15E16 (1)
Weight, g/mol:	244.056944
ΔH_f, kcal/mol:	14.13
Dipole, Da:	3.51
IP(EA), eV:	-8.73(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-(3-fluorophenyl)sulfinylbutanoate

Drug info:

PubChemData

Smile

C[C@H](C1=C(C=CC=C1SC2=CC3=CC=CC=C3N2)F)N

DOS

IR

Vibrations