Geometry & MOs

Info

ID:	320345
PubChem CID:	126659609
Reduced:	NCl2O3C19H21 (1)
Stoich.:	AB2C3D19E21 (1)
Weight, g/mol:	487.10095
ΔH_f, kcal/mol:	-124.54
Dipole, Da:	2.85
IP(EA), eV:	-9.27(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[(2R)-1-[4-(3-chlorophenyl)phenyl]-4-hydroxy-5-oxo-5-(3,3,3-trifluoropropoxy)pentan-2-yl]amino]-2-oxoacetic acid

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations