Geometry & MOs

Info

ID:	57441
PubChem CID:	22395935
Reduced:	SF2N2O5C22H24 (1)
Stoich.:	AB2C2D5E22F24 (1)
Weight, g/mol:	430.189257
ΔH_f, kcal/mol:	-274.61
Dipole, Da:	4.14
IP(EA), eV:	-9.46(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-naphthalen-2-yl-2-[[1-(2-phenylacetyl)pyrrolidine-2-carbonyl]amino]propanoic acid

Drug info:

PubChemData

Smile

CCCCC(C(=O)O)NC(=O)C1CC2=CC=CC=C2CN1S(=O)(=O)C3=C(C=C(C=C3)F)F

DOS

IR

Vibrations