Geometry & MOs

Info

ID:

133849

PubChem CID:

51600428

Reduced:

FO2N3C24H33 (1)

Stoich.:

AB2C3D24E33 (1)

Weight, g/mol:

428.202817

ΔHf, kcal/mol:

-58.34

Dipole, Da:

3.22

IP(EA), eV:

0.0(0.0)

Spin(Sz, S2):

0.500000, 1.105028

Charge, e:

0

Chem-info

IUPAC name:

(2R)-2-methylsulfanyl-2-[2-[[(2S)-2-methylsulfanyl-4-oxo-6-propyl-1,3-dihydropyrimidin-2-yl]amino]ethylamino]-6-propyl-1,3-dihydropyrimidin-4-one

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)N2CCN(CC2)[C@@H]3CCC[NH+](C3)CC4=C(C=C(C=C4)OC)F

DOS

IR

Vibrations