Geometry & MOs

Info

ID:	25800
PubChem CID:	630957
Reduced:	NO3F7H10C16 (1)
Stoich.:	AB3C7D10E16 (1)
Weight, g/mol:	340.120526
ΔH_f, kcal/mol:	-422.87
Dipole, Da:	5.41
IP(EA), eV:	-9.21(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3-(3-methyl-2,6-dioxo-7-propylpurin-8-yl)sulfanylpropanoate

Drug info:

PubChemData

Smile

CN(C(=O)C(C(C(F)(F)F)(F)F)(F)F)C(=O)OC1=CC=CC2=CC=CC=C21

DOS

IR

Vibrations