Geometry & MOs

Info

ID:

328852

PubChem CID:

126728366

Reduced:

SO2N6C25H28 (1)

Stoich.:

AB2C6D25E28 (1)

Weight, g/mol:

497.122922

ΔHf, kcal/mol:

-18.55

Dipole, Da:

8.3

IP(EA), eV:

 -8.44(-1.69)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(2E)-cyclooct-2-en-1-yl] N-[9-(2,7-dihydroxy-2-phosphanylidene-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-6-yl)purin-6-yl]carbamate

Drug info:

PubChemData

Smile

C1CC(CCC1NCCCC2=CC3=CC=CC=C3N2)NC4=NC=CC(=N4)/C=C\5/C(=O)NC(=O)S5

DOS

IR

Vibrations