Geometry & MOs

Info

ID:	82254
PubChem CID:	49855812
Reduced:	PN5O6C14H20 (1)
Stoich.:	AB5C6D14E20 (1)
Weight, g/mol:	639.231413
ΔH_f, kcal/mol:	-237.82
Dipole, Da:	2.3
IP(EA), eV:	-9.21(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

S-[2-[[(1R,4R)-4-(6-aminopurin-9-yl)-1-cyclopropylcyclopent-2-en-1-yl]oxymethyl-[2-(2,2-dimethylpropanoylsulfanyl)ethoxy]phosphoryl]oxyethyl] 2,2-dimethylpropanethioate

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

C1CC1[C@@]2(C[C@H]([C@@H]([C@@H]2O)O)N3C=NC4=C(N=CN=C43)N)OCP(=O)(O)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

C1CC1[C@@]2(C[C@H]([C@@H]([C@@H]2O)O)N3C=NC4=C(N=CN=C43)N)OCP(=O)(O)O

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):