Geometry & MOs

Info

ID:

214797

PubChem CID:

85083659

Reduced:

O5H38C41 (1)

Stoich.:

A5B38C41 (1)

Weight, g/mol:

611.25554

ΔHf, kcal/mol:

-84.41

Dipole, Da:

5.2

IP(EA), eV:

 -9.38(-0.7)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-cyclopentyl-3-(2,6-difluoro-3,5-dimethoxyphenyl)-7-[[5-(hydroxymethyl)-2-phenyl-1,3-dioxan-4-yl]methylamino]-4H-pyrimido[4,5-d]pyrimidin-2-one

Drug info:

PubChemData

Smile

COC(=O)C1=CC=CC(=C1)CCC2=CC(=CC=C2)CCC3C(C(=O)O3)COC(C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6

DOS

IR

Vibrations