Geometry & MOs

Info

ID:	214717
PubChem CID:	85083470
Reduced:	FN6O10C23H45 (1)
Stoich.:	AB6C10D23E45 (1)
Weight, g/mol:	584.230922
ΔH_f, kcal/mol:	-507.28
Dipole, Da:	5.27
IP(EA), eV:	-9.22(0.43)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

N-[4-[[3-butyl-1-[(2-fluorophenyl)methyl]-2,6-dioxopurin-3-ium-8-yl]methyl]phenyl]-3,4-dimethoxybenzamide

Drug info:

PubChemData

Smile

CN(C1CC(C(C(C1OC2C(C(C(C(O2)CO)O)N)O)F)OC3C(CC(C(O3)CN)N)O)N)C(=O)C(CCN)O

DOS

IR

Vibrations