Geometry & MOs

Info

ID:

443540

PubChem CID:

135259284

Reduced:

O4N5C23H25 (1)

Stoich.:

A4B5C23D25 (1)

Weight, g/mol:

475.112582

ΔHf, kcal/mol:

-98.27

Dipole, Da:

4.97

IP(EA), eV:

 -8.42(-1.17)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl 4-[(4',4'-difluoro-8-methyl-1,5-dioxospiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-6-yl)amino]thieno[2,3-d]pyrimidine-6-carboxylate

Drug info:

PubChemData

Smile

CC1=C2C(=O)NC3(N2C(=O)C(=C1)NC4=NC=NC5=CC(=C(C=C54)OC)OC)CCCCC3

DOS

IR

Vibrations