Geometry & MOs

Info

ID:	5793
PubChem CID:	13797
Reduced:	N2O8C21H28 (1)
Stoich.:	A2B8C21D28 (1)
Weight, g/mol:	436.184566
ΔH_f, kcal/mol:	-299.44
Dipole, Da:	20.77
IP(EA), eV:	-9.94(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(carboxymethyl)-2,4-dihydroxy-4-oxobutanoate;diethyl-[2-(3-phenyl-1,2-oxazol-5-yl)ethyl]azanium

Drug info:

PubChemData

Smile

CC[NH+](CC)CCC1=CC(=NO1)C2=CC=CC=C2.C(C(=O)O)C(CC(=O)O)(C(=O)[O-])O

DOS

IR

Vibrations