Geometry & MOs

Info

ID:	12
PubChem CID:	1947
Reduced:	PN2O8C11H17 (1)
Stoich.:	AB2C8D11E17 (1)
Weight, g/mol:	336.072253
ΔH_f, kcal/mol:	-395.01
Dipole, Da:	4.6
IP(EA), eV:	-9.33(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-hydroxy-2-[[3-hydroxy-2-methyl-5-(phosphonooxymethyl)pyridin-4-yl]methylamino]propanoic acid

Drug info:

PubChemData

Smile

CC1=NC=C(C(=C1O)CNC(CO)C(=O)O)COP(=O)(O)O

DOS

IR

Vibrations