Geometry & MOs

Info

ID:	325692
PubChem CID:	126684516
Reduced:	FCl2N2O4C24H29 (1)
Stoich.:	AB2C2D4E24F29 (1)
Weight, g/mol:	407.129964
ΔH_f, kcal/mol:	-242.43
Dipole, Da:	4.15
IP(EA), eV:	-9.42(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,4S)-5-[4-(5-chloro-2-fluorophenyl)phenyl]-2-(ethoxymethyl)-4-formamidopentanoic acid

Drug info:

PubChemData

Smile

CCOC(=O)[C@@H](C[C@@H](CC1=C(C=C(C=C1)C2=C(C=CC(=C2)Cl)F)Cl)NC(=O)OC(C)(C)C)N

DOS

IR

Vibrations