Geometry & MOs

Info

ID:	176500
PubChem CID:	76061664
Reduced:	PF2O4N5C11H16 (1)
Stoich.:	AB2C4D5E11F16 (1)
Weight, g/mol:	484.255994
ΔH_f, kcal/mol:	-266.75
Dipole, Da:	7.36
IP(EA), eV:	-9.72(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

tert-butyl 5-amino-2-[4-[2-(1,3,7-trimethyl-2,6-dioxo-5H-purin-7-ium-8-yl)ethenyl]phenoxy]pentanoate

Drug info:

PubChemData

Smile

C1=NC2C(=NC(=NC2=O)N)N1CCCCCC(F)(F)P(=O)(O)O

DOS

IR

Vibrations