Geometry & MOs

Info

ID:	230554
PubChem CID:	87571348
Reduced:	NSO5H19C21 (1)
Stoich.:	ABC5D19E21 (1)
Weight, g/mol:	350.08105
ΔH_f, kcal/mol:	-107.45
Dipole, Da:	7.74
IP(EA), eV:	-9.96(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-fluorophenyl) 3-methyl-3-[4-(methyldisulfanyl)phenyl]butanoate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C(=O)/C=C/C2=CC(C(C=C2)(NS(=O)(=O)C3=CC=CC=C3)O)O

DOS

IR

Vibrations