Geometry & MOs

Info

ID:	5956
PubChem CID:	14180
Reduced:	PN2O8C11H15 (1)
Stoich.:	AB2C8D11E15 (1)
Weight, g/mol:	334.056602
ΔH_f, kcal/mol:	-384.17
Dipole, Da:	2.59
IP(EA), eV:	-9.21(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R,3S,4R,5R)-5-(3-carbamoylpyridin-1-ium-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl hydrogen phosphate

Drug info:

PubChemData

Smile

C1=CC(=C[N+](=C1)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)[O-])O)O)C(=O)N

DOS

IR

Vibrations