Geometry & MOs

Info

ID:	394902
PubChem CID:	135024097
Reduced:	P2N7O11C18H25 (1)
Stoich.:	A2B7C11D18E25 (1)
Weight, g/mol:	577.108729
ΔH_f, kcal/mol:	-445.88
Dipole, Da:	4.49
IP(EA), eV:	-9.23(-1.78)
Spin(S_z, S²):	None, None
Charge, e:	-2

Chem-info

IUPAC name:

[(2S)-2-(6-aminopurin-9-yl)-3-[[(2R)-3-methoxy-2-(5-methyl-2,4-dioxopyrimidin-1-yl)propoxy]-oxidophosphoryl]oxypropyl] methyl 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

CC1=CN(C(=O)NC1=O)[C@@H](COC)COP(=O)([O-])OC[C@@H](COP(=O)([O-])OC)N2C=NC3=C(N=CN=C32)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

CC1=CN(C(=O)NC1=O)[C@@H](COC)COP(=O)([O-])OC[C@@H](COP(=O)([O-])OC)N2C=NC3=C(N=CN=C32)N

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):