Geometry & MOs

Info

ID:	443503
PubChem CID:	135259208
Reduced:	SO3N7C26H31 (1)
Stoich.:	AB3C7D26E31 (1)
Weight, g/mol:	423.201888
ΔH_f, kcal/mol:	-70.52
Dipole, Da:	3.17
IP(EA), eV:	-8.72(-1.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[[9-(2-hydroxypropyl)purin-6-yl]amino]-8-methylspiro[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=C5C(=C(SC5=NC=N4)C(=O)N6CCN(CC6)C)C)CCCCC3

DOS

IR

Vibrations