Geometry & MOs

Info

ID:	33706
PubChem CID:	7887556
Reduced:	SN2O4C22H26 (1)
Stoich.:	AB2C4D22E26 (1)
Weight, g/mol:	349.078407
ΔH_f, kcal/mol:	-130.72
Dipole, Da:	3.64
IP(EA), eV:	-9.19(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(2-methylsulfanylanilino)-2-oxoethyl] 2-fluoro-4-methoxybenzoate

Drug info:

PubChemData

Smile

C[C@H]1C[C@@H](CN(C1)C(=O)C2=CC=CC=C2C(=O)OCC(=O)NCC3=CC=CS3)C

DOS

IR

Vibrations