Geometry & MOs

Info

ID:	445724
PubChem CID:	135269111
Reduced:	SF3O4N5C22H24 (1)
Stoich.:	AB3C4D5E22F24 (1)
Weight, g/mol:	372.14337
ΔH_f, kcal/mol:	-228.9
Dipole, Da:	4.14
IP(EA), eV:	-8.47(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[1-(3-hydroxypropyl)-2,6-dioxo-3-propyl-7H-purin-8-yl]oxy]benzaldehyde

Drug info:

PubChemData

Smile

CC1=CN=C(S1)CN2C3=C(N=C2OC4CC=C(C=C4)OC(F)(F)F)N(C(=C)N(C3=O)CCCO)C

DOS

IR

Vibrations