Geometry & MOs

Info

ID:	378341
PubChem CID:	134224419
Reduced:	PN3O10C26H36 (1)
Stoich.:	AB3C10D26E36 (1)
Weight, g/mol:	604.241049
ΔH_f, kcal/mol:	-471.9
Dipole, Da:	7.69
IP(EA), eV:	-9.51(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S)-4-methyl-3-oxopentan-2-yl] (2S)-2-[[[(1R,5S)-3-(2-amino-6-hydroxy-3,6-dihydropurin-9-yl)-5-hydroxy-2-methylidenecyclopentyl]methoxy-phenoxyphosphoryl]amino]propanoate

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=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO[P@@](=O)(NC(C)(CO[C@@H](C)C(=O)C(C)C)C=O)OC3=CC=CC=C3)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=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO[P@@](=O)(NC(C)(CO[C@@H](C)C(=O)C(C)C)C=O)OC3=CC=CC=C3)O

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):