Geometry & MOs

Info

ID:

215275

PubChem CID:

85084464

Reduced:

NO12C43H67 (1)

Stoich.:

AB12C43D67 (1)

Weight, g/mol:

789.412869

ΔHf, kcal/mol:

-552.36

Dipole, Da:

4.79

IP(EA), eV:

 -9.38(-0.67)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(3-amino-3-carboxypropyl)-[[5-(6-amino-7,8-dihydropurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl]-methylsulfanium;2-(octadec-9-enoylamino)ethanesulfonate

Drug info:

PubChemData

Smile

CC1CC(C2C(CC(C(O2)(C(=O)C(=O)N3CCCCC3C(=O)OC(C(C(CC(=O)C(C=C(C1)C)CC=C)O)C)C(=CC4CCC(C(C4)OC)O)C)O)C)O)OC

DOS

IR

Vibrations