Geometry & MOs

Info

ID:

443510

PubChem CID:

135259224

Reduced:

F2O2N5H19C21 (1)

Stoich.:

A2B2C5D19E21 (1)

Weight, g/mol:

550.159866

ΔHf, kcal/mol:

-113.6

Dipole, Da:

3.44

IP(EA), eV:

 -8.95(-1.52)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

6-[[6-(3-but-3-en-1-ynylazetidine-1-carbonyl)thieno[2,3-d]pyrimidin-4-yl]amino]-4',4'-difluoro-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations