Geometry & MOs

Info

ID:

443455

PubChem CID:

135259080

Reduced:

O3N6C23H28 (1)

Stoich.:

A3B6C23D28 (1)

Weight, g/mol:

494.173625

ΔHf, kcal/mol:

-32.9

Dipole, Da:

3.28

IP(EA), eV:

 -8.59(-0.98)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-hydroxy-8-methyl-6-[[6-[(1R,4R)-2-oxa-5-azabicyclo[2.2.1]heptane-5-carbonyl]thieno[2,3-d]pyrimidin-4-yl]amino]spiro[1,2-dihydroimidazo[1,5-a]pyridine-3,1'-cyclopentane]-5-one

Drug info:

PubChemData

Smile

CC1=C2C(=O)NC3(N2C(=O)C(=C1)NC/4=N/C=C\CC/C(=N4)/NC(=O)C5CC5)CCCCC3

DOS

IR

Vibrations