Geometry & MOs

Info

ID:	38469
PubChem CID:	8111118
Reduced:	OSF3N3C20H20 (1)
Stoich.:	ABC3D3E20F20 (1)
Weight, g/mol:	372.114378
ΔH_f, kcal/mol:	-138.15
Dipole, Da:	1.74
IP(EA), eV:	-9.08(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S)-1-(4-acetamidoanilino)-1-oxopropan-2-yl] 2-phenylsulfanylacetate

Drug info:

PubChemData

Smile

CN(CC1=CC=C(C=C1)C(F)(F)F)CC(=O)NC2=C(C3=C(S2)CCCC3)C#N

DOS

IR

Vibrations