Geometry & MOs

Info

ID:

443502

PubChem CID:

135259204

Reduced:

SO3N6C18H18 (1)

Stoich.:

AB3C6D18E18 (1)

Weight, g/mol:

521.220909

ΔHf, kcal/mol:

-32.4

Dipole, Da:

0.98

IP(EA), eV:

 -8.58(-1.2)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

8-methyl-6-[[5-methyl-6-(4-methylpiperazine-1-carbonyl)thieno[2,3-d]pyrimidin-4-yl]amino]spiro[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=CN5)CCS(=O)CC3

DOS

IR

Vibrations