Geometry & MOs

Info

ID:	192708
PubChem CID:	78303277
Reduced:	ClN2O2H25C27 (1)
Stoich.:	AB2C2D25E27 (1)
Weight, g/mol:	482.175454
ΔH_f, kcal/mol:	-21.3
Dipole, Da:	4.72
IP(EA), eV:	-9.29(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-[3-(4-chlorophenoxy)-2-hydroxypropyl]-8-heptylsulfanyl-3-methyl-4,5-dihydropurine-2,6-dione

Drug info:

PubChemData

Smile

C1CC2C(CC1Cl)C(C(C(=O)N2)C(=O)C=CC3=CC4=C(C=C3)N=CC=C4)C5=CC=CC=C5

DOS

IR

Vibrations