Geometry & MOs

Info

ID:

443508

PubChem CID:

135259222

Reduced:

FO2N5H20C21 (1)

Stoich.:

AB2C5D20E21 (1)

Weight, g/mol:

571.217715

ΔHf, kcal/mol:

-64.46

Dipole, Da:

5.2

IP(EA), eV:

 -8.78(-1.4)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

6-[[6-[4-(dimethylamino)piperidine-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=C5F)CCCCC3

DOS

IR

Vibrations