Geometry & MOs

Info

ID:	436179
PubChem CID:	135194340
Reduced:	ClO6N8C23H25 (1)
Stoich.:	AB6C8D23E25 (1)
Weight, g/mol:	703.147917
ΔH_f, kcal/mol:	-93.9
Dipole, Da:	5.89
IP(EA), eV:	-9.29(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R,3R,4R,5S)-2-(6-amino-2-chloropurin-9-yl)-5-[[(4-methoxyphenyl)-diphenylmethoxy]methyl]-4-methyloxolan-3-yl] trifluoromethanesulfonate

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@H]([C@@H](O2)N3C=NC4=C(N=C(N=C43)Cl)N)O)N=[N+]=[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

CCOC(=O)C(CC1=CC=CC=C1)(C(=O)C)OC[C@@H]2[C@@H]([C@H]([C@@H](O2)N3C=NC4=C(N=C(N=C43)Cl)N)O)N=[N+]=[N-]

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):