Geometry & MOs

Info

ID:	394901
PubChem CID:	135024096
Reduced:	P2N7O11C18H27 (1)
Stoich.:	A2B7C11D18E27 (1)
Weight, g/mol:	577.108729
ΔH_f, kcal/mol:	-541.32
Dipole, Da:	7.93
IP(EA), eV:	-9.3(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	-2

Chem-info

IUPAC name:

[(2R)-2-(6-aminopurin-9-yl)-3-[[(2S)-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[C@H](COC)OP(=O)(O)OC[C@@H](CN2C=NC3=C(N=CN=C32)N)OP(=O)(O)OC

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[C@H](COC)OP(=O)(O)OC[C@@H](CN2C=NC3=C(N=CN=C32)N)OP(=O)(O)OC

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):