Geometry & MOs

Info

ID:	336980
PubChem CID:	127256545
Reduced:	BrPN2Na2O10C11H12 (1)
Stoich.:	ABC2D2E10F11G12 (1)
Weight, g/mol:	443.95694
ΔH_f, kcal/mol:	-596.48
Dipole, Da:	14.1
IP(EA), eV:	-8.85(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[(2R,3S,4S,5R)-5-(5-bromo-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

C1=C(C(=O)NC(=O)N1[C@H]2[C@H]([C@@H]([C@H](O2)COP(=O)(CC(=O)[O-])[O-])O)O)Br.[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

C1=C(C(=O)NC(=O)N1[C@H]2[C@H]([C@@H]([C@H](O2)COP(=O)(CC(=O)[O-])[O-])O)O)Br.[Na+].[Na+]

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):