Geometry & MOs

Info

ID:	445646
PubChem CID:	135268752
Reduced:	FSO3N6H17C21 (1)
Stoich.:	ABC3D6E17F21 (1)
Weight, g/mol:	365.089082
ΔH_f, kcal/mol:	16.21
Dipole, Da:	8.81
IP(EA), eV:	-8.91(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-[(5-chloropyridin-2-yl)methyl]-1-(3-hydroxypropyl)-3-methyl-9H-purine-2,6,8-trione

Drug info:

PubChemData

Smile

C1COCCN1C2=CC3=C(S2)C(=NC=N3)C4=C(C=CC(=C4)C(C5=NC=CNC5=O)N=O)F

DOS

IR

Vibrations