Geometry & MOs

Info

ID:	80666
PubChem CID:	49835808
Reduced:	SN4O9C16H22 (1)
Stoich.:	AB4C9D16E22 (1)
Weight, g/mol:	646.067317
ΔH_f, kcal/mol:	-345.19
Dipole, Da:	5.98
IP(EA), eV:	-9.42(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	-2

Chem-info

IUPAC name:

[(2R,3R,4R,5S,6R)-3-[(2-azidoacetyl)amino]-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl] [[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-oxidophosphoryl] phosphate

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)OC[C@@H]1[C@H]([C@@H]([C@H]([C@H](S1)OC(=O)C)NC(=O)CN=[N+]=[N-])OC(=O)C)OC(=O)C

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)OC[C@@H]1[C@H]([C@@H]([C@H]([C@H](S1)OC(=O)C)NC(=O)CN=[N+]=[N-])OC(=O)C)OC(=O)C

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):