Geometry & MOs

Info

ID:	443501
PubChem CID:	135259203
Reduced:	FON4H19C20 (1)
Stoich.:	ABC4D19E20 (1)
Weight, g/mol:	398.11611
ΔH_f, kcal/mol:	-7.16
Dipole, Da:	8.49
IP(EA), eV:	-8.41(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-methyl-1'-oxo-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

C1CNC[C@@]12CCN(C2=O)C3=CC4=C(C=C3)NN=C4C5=CC=C(C=C5)F

DOS

IR

Vibrations