Geometry & MOs

Info

ID:	5684
PubChem CID:	13488
Reduced:	N2O8C19H24 (1)
Stoich.:	A2B8C19D24 (1)
Weight, g/mol:	408.153266
ΔH_f, kcal/mol:	-295.91
Dipole, Da:	11.77
IP(EA), eV:	-9.91(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[NH+](C)CCC1=NOC(=C1)C2=CC=CC=C2.C(C(=O)O)C(CC(=O)O)(C(=O)[O-])O

DOS

IR

Vibrations