Geometry & MOs

Info

ID:	297217
PubChem CID:	117613287
Reduced:	FPN5O8C31H39 (1)
Stoich.:	ABC5D8E31F39 (1)
Weight, g/mol:	327.134282
ΔH_f, kcal/mol:	-389.34
Dipole, Da:	3.14
IP(EA), eV:	-8.63(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R,3S,4R,5R)-2-(2-amino-6-methoxypurin-9-yl)-3-ethyl-4-fluoro-5-(hydroxymethyl)oxolan-3-ol

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

C[C@@H](C(=O)OCC(C)(C)C)NP(=O)(OC[C@@H]1[C@H]([C@@]([C@@H](O1)N2C=CC3=C2N=C(N=C3OC)N)(C)O)F)OC4=CC=CC5=CC=CC=C54

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

C[C@@H](C(=O)OCC(C)(C)C)NP(=O)(OC[C@@H]1[C@H]([C@@]([C@@H](O1)N2C=CC3=C2N=C(N=C3OC)N)(C)O)F)OC4=CC=CC5=CC=CC=C54

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):