Geometry & MOs

Info

ID:

150994

PubChem CID:

53790691

Reduced:

NO2C16H18 (2)

Stoich.:

AB2C16D18 (2)

Weight, g/mol:

522.162014

ΔHf, kcal/mol:

-91.38

Dipole, Da:

3.68

IP(EA), eV:

 -8.55(-0.22)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[2-[2-[[6-oxo-5-(pyridin-3-ylmethyl)-1H-pyrimidin-2-yl]amino]ethyldisulfanyl]ethylamino]-5-(pyridin-3-ylmethyl)-1H-pyrimidin-6-one

Drug info:

PubChemData

Smile

COC(=O)C(COC1=CC=C(C=C1)C2=C(C3=CC=CC=C3C2)CC4=CC=C(C=C4)OCCN5CCCC5)N

DOS

IR

Vibrations