Geometry & MOs

Info

ID:	159687
PubChem CID:	57288627
Reduced:	N2O5C17H24 (1)
Stoich.:	A2B5C17D24 (1)
Weight, g/mol:	463.118651
ΔH_f, kcal/mol:	-210.14
Dipole, Da:	2.66
IP(EA), eV:	-9.71(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,4R)-4-[4-(4-chlorophenyl)phenyl]-2-[2-(1,3-dioxoisoindol-2-yl)ethyl]-4-hydroxybutanoic acid

Drug info:

PubChemData

Smile

CC(C)(CCC(=O)OC(CC(C(=O)C1=CC=CC=C1)N)N)C(=O)O

DOS

IR

Vibrations