Geometry & MOs

Info

ID:	318999
PubChem CID:	126654099
Reduced:	ClFO3N5C24H27 (1)
Stoich.:	ABC3D5E24F27 (1)
Weight, g/mol:	471.081969
ΔH_f, kcal/mol:	-107.48
Dipole, Da:	3.58
IP(EA), eV:	-9.43(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,4S)-5-[4-(5-chloro-2-fluorophenyl)phenyl]-2-(cyanomethyl)-4-(1,2-thiazole-4-carbonylamino)pentanoic acid

Drug info:

PubChemData

Smile

CC(C)OC(=O)[C@@H](C[C@@H](CC1=CC=C(C=C1)C2=C(C=CC(=C2)Cl)F)NC(=O)C3=NNN=C3)CN

DOS

IR

Vibrations