Geometry & MOs

Info

ID:	398423
PubChem CID:	135033192
Reduced:	NC13H13 (2)
Stoich.:	AB13C13 (2)
Weight, g/mol:	808.989749
ΔH_f, kcal/mol:	69.79
Dipole, Da:	2.25
IP(EA), eV:	-7.99(-0.03)
Spin(S_z, S²):	None, None
Charge, e:	-4

Chem-info

IUPAC name:

[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-oxidophosphoryl] [[[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-oxidophosphoryl]oxy-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

CC1=CC2C([C@H](C3=C2C4=CC=CC=C4N3)C5=CNC6=CC=CC=C65)C(C1)(C)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

CC1=CC2C([C@H](C3=C2C4=CC=CC=C4N3)C5=CNC6=CC=CC=C65)C(C1)(C)C

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):