Geometry & MOs

Info

ID:	17250
PubChem CID:	490499
Reduced:	PN8O9C18H27 (1)
Stoich.:	AB8C9D18E27 (1)
Weight, g/mol:	530.163861
ΔH_f, kcal/mol:	-347.39
Dipole, Da:	7.45
IP(EA), eV:	-9.56(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-amino-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one;[(2S)-1-(6-aminopurin-9-yl)-3-hydroxypropan-2-yl]oxymethylphosphonic 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@@H]([C@H](O[C@H]1N2C=CC(=NC2=O)N)CO)O.C1=NC(=C2C(=N1)N(C=N2)C[C@@H](CO)OCP(=O)(O)O)N

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@@H]([C@H](O[C@H]1N2C=CC(=NC2=O)N)CO)O.C1=NC(=C2C(=N1)N(C=N2)C[C@@H](CO)OCP(=O)(O)O)N

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):