Geometry & MOs

Info

ID:	38696
PubChem CID:	8137765
Reduced:	FN2O3H17C18 (1)
Stoich.:	AB2C3D17E18 (1)
Weight, g/mol:	417.139865
ΔH_f, kcal/mol:	-84.89
Dipole, Da:	1.24
IP(EA), eV:	-8.93(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1R)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] (2S)-2-phenyl-2-phenylsulfanylacetate

Drug info:

PubChemData

Smile

C1CC1NC(=O)CNC(=O)/C=C/C2=CC=C(O2)C3=CC=CC=C3F

DOS

IR

Vibrations