Geometry & MOs

Info

ID:	125876
PubChem CID:	50941767
Reduced:	FS2N4H11C13 (1)
Stoich.:	AB2C4D11E13 (1)
Weight, g/mol:	550.262028
ΔH_f, kcal/mol:	37.29
Dipole, Da:	3.23
IP(EA), eV:	-8.7(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4R,5R)-1,3-dibenzyl-4,5-bis(4-methylphenyl)-2-phenyl-4H-imidazol-3-ium-5-carboxylate

Drug info:

PubChemData

Smile

CSC1=NC(=NC2=C1N=C(S2)CC3=CC=C(C=C3)F)N

DOS

IR

Vibrations