Geometry & MOs

Info

ID:	378288
PubChem CID:	134224364
Reduced:	PN7O8C24H32 (1)
Stoich.:	AB7C8D24E32 (1)
Weight, g/mol:	559.194433
ΔH_f, kcal/mol:	-295.83
Dipole, Da:	3.74
IP(EA), eV:	-8.62(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

prop-2-enyl (2S)-2-[[[(2R,4R)-4-[2-amino-6-(cyclopropylamino)purin-9-yl]-1,3-dioxolan-2-yl]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

C[C@@H](C(=O)OCCOC)NP(=O)(OC[C@@H]1OC[C@@H](O1)N2C=NC3=C(N=C(N=C32)N)NC4CC4)OC5=CC=CC=C5

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)OCCOC)NP(=O)(OC[C@@H]1OC[C@@H](O1)N2C=NC3=C(N=C(N=C32)N)NC4CC4)OC5=CC=CC=C5

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):