Geometry & MOs

Info

ID:	441510
PubChem CID:	135235545
Reduced:	NOC5H5 (5)
Stoich.:	ABC5D5 (5)
Weight, g/mol:	753.327482
ΔH_f, kcal/mol:	-42.48
Dipole, Da:	6.43
IP(EA), eV:	-9.5(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[9-[(1R,3R,4R,6R,7S)-6-methyl-7-phenylmethoxy-1-(phenylmethoxymethyl)-2-oxa-5-azabicyclo[2.2.1]heptan-3-yl]-2-(2-methylpropanoylamino)purin-6-yl] N,N-diphenylcarbamate

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=CN2[C@H]3[C@H]([C@@H]([C@@](O3)(CN=[N+]=[N-])COCC4=CC=CC=C4)OCC5=CC=CC=C5)OC2=NC1=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

CC1=CN2[C@H]3[C@H]([C@@H]([C@@](O3)(CN=[N+]=[N-])COCC4=CC=CC=C4)OCC5=CC=CC=C5)OC2=NC1=O

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):