Geometry & MOs

Info

ID:

443516

PubChem CID:

135259233

Reduced:

O3N9C38H43 (1)

Stoich.:

A3B9C38D43 (1)

Weight, g/mol:

382.121195

ΔHf, kcal/mol:

36.61

Dipole, Da:

9.3

IP(EA), eV:

 -8.24(-0.46)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

8-methyl-6-(7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)spiro[2H-imidazo[1,5-a]pyridine-3,4'-thiane]-1,5-dione

Drug info:

PubChemData

Smile

CCN(C1=CC2=C(C=C1)NN=C2C3=CN=C(C=C3)OC(C)C)C(=O)[C@@H]4CCN(C4)CC(=O)N5CCC(=CC5)C6=CC=C(C=C6)C7=CN(N=N7)C

DOS

IR

Vibrations