Geometry & MOs

Info

ID:

443529

PubChem CID:

135259260

Reduced:

F3O3N5H22C23 (1)

Stoich.:

A3B3C5D22E23 (1)

Weight, g/mol:

478.142324

ΔHf, kcal/mol:

-230.9

Dipole, Da:

2.01

IP(EA), eV:

 -8.92(-1.5)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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[2H-imidazo[1,5-a]pyridine-3,1'-cyclobutane]-1,5-dione

Drug info:

PubChemData

Smile

CC1=C2C(=CC=C1)N=CN=C2NC3=CC(=C4C(=O)NC5(N4C3=O)CCC(CC5)(C(F)(F)F)O)C

DOS

IR

Vibrations