Geometry & MOs

Info

ID:	176832
PubChem CID:	76104059
Reduced:	SO5C20H32 (1)
Stoich.:	AB5C20D32 (1)
Weight, g/mol:	571.278127
ΔH_f, kcal/mol:	-236.43
Dipole, Da:	5.07
IP(EA), eV:	-9.91(0.5)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

methyl 2-[2,6-dioxo-8-pentyl-3-propyl-7-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-5H-purin-3-ium-1-yl]acetate

Drug info:

PubChemData

Smile

C1CCC(CC1)S(=O)(=O)CC2C3CCC(C2CC=CCCCC(=O)O)O3

DOS

IR

Vibrations