Geometry & MOs

Info

ID:	135724
PubChem CID:	51921378
Reduced:	SF2N2O4C22H24 (1)
Stoich.:	AB2C2D4E22F24 (1)
Weight, g/mol:	452.155906
ΔH_f, kcal/mol:	-247.67
Dipole, Da:	7.25
IP(EA), eV:	-9.33(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl] (2R)-3-methyl-2-[(3-methylbenzoyl)amino]butanoate

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)C(=O)N[C@H](C(C)C)C(=O)OCC(=O)NC2=CC=C(C=C2)SC(F)F

DOS

IR

Vibrations