Geometry & MOs

Info

ID:	336972
PubChem CID:	127256537
Reduced:	PN2Na2O11C13H15 (1)
Stoich.:	AB2C2D11E13F15 (1)
Weight, g/mol:	408.056996
ΔH_f, kcal/mol:	-624.73
Dipole, Da:	21.23
IP(EA), eV:	-8.66(-1.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[(2R,3S,4S,5R)-5-(5-acetyl-2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]acetic acid

Drug info:

PubChemData

Geometry & MOs

Info

ID:

PubChem CID:

Reduced:

Stoich.:

Weight, g/mol:

ΔH_f, kcal/mol:

Dipole, Da:

IP(EA), eV:

Spin(S_z, S²):

Charge, e:

Chem-info

IUPAC name:

Drug info:

Smile

CC(=O)C1=CN(C(=O)NC1=O)[C@H]2[C@H]([C@@H]([C@H](O2)COP(=O)(CC(=O)[O-])[O-])O)O.[Na+].[Na+]

DOS

IR

Vibrations

Geometry & MOs

Info

ID:

PubChem CID:

Reduced:

Stoich.:

Weight, g/mol:

ΔHf, kcal/mol:

Dipole, Da:

IP(EA), eV:

Spin(Sz, S2):

Charge, e:

Chem-info

IUPAC name:

Drug info:

Smile

CC(=O)C1=CN(C(=O)NC1=O)[C@H]2[C@H]([C@@H]([C@H](O2)COP(=O)(CC(=O)[O-])[O-])O)O.[Na+].[Na+]

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):