Geometry & MOs

Info

ID:	37803
PubChem CID:	8024585
Reduced:	SN2O4H18C19 (1)
Stoich.:	AB2C4D18E19 (1)
Weight, g/mol:	370.059898
ΔH_f, kcal/mol:	-91.53
Dipole, Da:	6.15
IP(EA), eV:	-9.0(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S)-1-oxo-1-(2,3,4-trifluoroanilino)propan-2-yl] 2-methylsulfanylpyridine-3-carboxylate

Drug info:

PubChemData

Smile

CCOC1=CC=CC=C1C(=O)OCC(=O)NC2=CC=CC=C2SCC#N

DOS

IR

Vibrations