Geometry & MOs

Info

ID:	186468
PubChem CID:	77438449
Reduced:	FO2N3C14H20 (1)
Stoich.:	AB2C3D14E20 (1)
Weight, g/mol:	530.150302
ΔH_f, kcal/mol:	-127.83
Dipole, Da:	4.67
IP(EA), eV:	-8.62(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-[4-[4-(4-chlorophenyl)piperazin-1-yl]sulfonylphenyl]-9-propyl-4,5-dihydro-3H-purine-2,6-dione

Drug info:

PubChemData

Smile

CC1CCC(N(C1)C(=O)O)CNC2=NC=C(C=C2C)F

DOS

IR

Vibrations