Geometry & MOs

Info

ID:

443497

PubChem CID:

135259193

Reduced:

O3N9C37H39 (1)

Stoich.:

A3B9C37D39 (1)

Weight, g/mol:

510.204925

ΔHf, kcal/mol:

48.44

Dipole, Da:

9.22

IP(EA), eV:

 -8.37(-0.82)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)OC1=NC=C(C=C1)C2=NNC3=C2C=C(C=C3)N4CC[C@]5(C4=O)CCN(C5)CC(=O)N6CCC(=CC6)C7=CC=C(C=C7)N8C=CN=N8

DOS

IR

Vibrations