Geometry & MOs

Info

ID:	135666
PubChem CID:	51912820
Reduced:	FSN2O5C25H25 (1)
Stoich.:	ABC2D5E25F25 (1)
Weight, g/mol:	498.162471
ΔH_f, kcal/mol:	-195.07
Dipole, Da:	7.49
IP(EA), eV:	-8.44(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-oxo-2-(2,4,6-trimethylanilino)ethyl] (2R)-2-[(2-fluorophenyl)sulfonylamino]-3-phenylpropanoate

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)NC(=O)COC(=O)[C@H](CC2=CC=CC=C2)NS(=O)(=O)C3=CC=CC=C3F)C

DOS

IR

Vibrations