Geometry & MOs

Info

ID:	436165
PubChem CID:	135194280
Reduced:	ClFN5O6C23H25 (1)
Stoich.:	ABC5D6E23F25 (1)
Weight, g/mol:	457.124505
ΔH_f, kcal/mol:	-209.56
Dipole, Da:	5.9
IP(EA), eV:	-9.38(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[[(2R,3R,4S,5R)-5-(6-amino-2-methylpurin-9-yl)-4-fluoro-3-hydroxyoxolan-2-yl]methoxy]propane-1,1,3-tricarboxylic 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

CCOC(=O)C(CC1=CC=CC=C1)(C(=O)C)OC[C@@H]2[C@H](C([C@@H](O2)N3C4=NC(=NC(=C4C=N3)N)Cl)F)O

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

CCOC(=O)C(CC1=CC=CC=C1)(C(=O)C)OC[C@@H]2[C@H](C([C@@H](O2)N3C4=NC(=NC(=C4C=N3)N)Cl)F)O

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):