Geometry & MOs

Info

ID:

43900

PubChem CID:

10321954

Reduced:

N3O8C22H25 (1)

Stoich.:

A3B8C22D25 (1)

Weight, g/mol:

459.134142

ΔHf, kcal/mol:

-294.29

Dipole, Da:

5.77

IP(EA), eV:

 -8.43(-0.93)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-hexylsulfanyl-9-(2-hydroxy-7-methoxy-2-oxo-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-6-yl)purin-6-amine

Drug info:

PubChemData

Smile

C[C@@H]1[C@H]2C[C@H]3[C@H](C(=O)C(C(=O)[C@]3(C(=O)C2C(=O)C4=C(C(=CC(=C14)N(C)C)N)O)O)C(=O)N)O

DOS

IR

Vibrations