Geometry & MOs

Info

ID:

443523

PubChem CID:

135259250

Reduced:

O3N5C22H23 (1)

Stoich.:

A3B5C22D23 (1)

Weight, g/mol:

451.142659

ΔHf, kcal/mol:

-64.62

Dipole, Da:

6.07

IP(EA), eV:

 -8.59(-1.17)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[4-[(1-hydroxy-3,3,8-trimethyl-5-oxo-1,2-dihydroimidazo[1,5-a]pyridin-6-yl)amino]thieno[2,3-d]pyrimidine-6-carbonyl]azetidine-3-carbonitrile

Drug info:

PubChemData

Smile

CC1=C2C(=O)NC3(N2C(=O)C(=C1)NC4=NC=NC5=C4C(=CC=C5)OC)CCCCC3

DOS

IR

Vibrations