Geometry & MOs

Info

ID:	443433
PubChem CID:	135258985
Reduced:	O2N7C17H17 (1)
Stoich.:	A2B7C17D17 (1)
Weight, g/mol:	444.157974
ΔH_f, kcal/mol:	81.13
Dipole, Da:	7.1
IP(EA), eV:	-8.72(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-methyl-6-[(6-methylsulfonyl-5,7-dihydropyrrolo[3,4-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(=C3)C(=C1)NC4=NC(=NC=N4)NC(=O)C5CC5)C

DOS

IR

Vibrations