Geometry & MOs

Info

ID:	5780
PubChem CID:	13777
Reduced:	N2O8C15H24 (1)
Stoich.:	A2B8C15D24 (1)
Weight, g/mol:	360.153266
ΔH_f, kcal/mol:	-336.13
Dipole, Da:	11.38
IP(EA), eV:	-10.28(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC[NH+](CC)CC1=NOC(=C1)C.C(C(=O)O)C(CC(=O)O)(C(=O)[O-])O

DOS

IR

Vibrations