Geometry & MOs

Info

ID:	15653
PubChem CID:	446862
Reduced:	PN2O7C11H17 (1)
Stoich.:	AB2C7D11E17 (1)
Weight, g/mol:	320.077338
ΔH_f, kcal/mol:	-355.78
Dipole, Da:	7.72
IP(EA), eV:	-9.31(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=NC=C(C(=C1O)CN[C@H](C)C(=O)O)COP(=O)(O)O

DOS

IR

Vibrations