Geometry & MOs

Info

ID:

448837

PubChem CID:

135293920

Reduced:

ON8C29H36 (1)

Stoich.:

AB8C29D36 (1)

Weight, g/mol:

440.16306

ΔHf, kcal/mol:

93.49

Dipole, Da:

7.13

IP(EA), eV:

 -8.29(-0.75)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(3E)-3-[(6Z)-6-ethylidene-2-[[(2R)-1-(7H-purin-6-yl)pyrrolidin-2-yl]methylamino]cyclohexa-2,4-dien-1-ylidene]prop-1-ene-2-sulfonic acid

Drug info:

PubChemData

Smile

CN=CCCN1CCN(CC1)CC2=CC=C(C3=CC=CC=C23)OC[C@H]4CCCN4C5=NC=NC6=C5NC=N6

DOS

IR

Vibrations