Geometry & MOs

Info

ID:	394905
PubChem CID:	135024103
Reduced:	P2N7O13C19H27 (1)
Stoich.:	A2B7C13D19E27 (1)
Weight, g/mol:	625.129858
ΔH_f, kcal/mol:	-519.72
Dipole, Da:	6.56
IP(EA), eV:	-9.35(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S)-2-[(6-aminopurin-9-yl)methoxy]-3-[[(2R)-2-[(2,4-dioxopyrimidin-1-yl)methoxy]-3-methoxypropoxy]-hydroxyphosphoryl]oxypropyl] methyl hydrogen phosphate

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

COC[C@H](COP(=O)([O-])OC[C@H](COP(=O)([O-])OC)OCN1C=NC2=C(N=CN=C21)N)OCN3C=CC(=O)NC3=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

COC[C@H](COP(=O)([O-])OC[C@H](COP(=O)([O-])OC)OCN1C=NC2=C(N=CN=C21)N)OCN3C=CC(=O)NC3=O

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):