Geometry & MOs

Info

ID:	445737
PubChem CID:	135269220
Reduced:	ClSF3O4N5H19C24 (1)
Stoich.:	ABC3D4E5F19G24 (1)
Weight, g/mol:	426.170333
ΔH_f, kcal/mol:	-204.23
Dipole, Da:	3.13
IP(EA), eV:	-9.01(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-[(4-fluorophenyl)methyl]-1-(3-hydroxypropyl)-3-methyl-8-phenoxy-4,5-dihydropurine-2,6-dione

Drug info:

PubChemData

Smile

CN1C(N(C(=O)C2=C1N=C(N2CC3=CC=C(C=C3)Cl)OC4=CC(=CC=C4)OC(F)(F)F)CC5=CN=CS5)O

DOS

IR

Vibrations