Geometry & MOs

Info

ID:	336274
PubChem CID:	127255281
Reduced:	ClN4O4C18H23 (1)
Stoich.:	AB4C4D18E23 (1)
Weight, g/mol:	359.17193
ΔH_f, kcal/mol:	-137.33
Dipole, Da:	7.38
IP(EA), eV:	-8.57(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

3-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-3-(1-hydroxy-3,4,5-trimethylimidazol-3-ium-2-yl)propanoic acid

Drug info:

PubChemData

Smile

CC1=C([N+](=C(N1O)C(CC(=O)O)C2=CC3=C(C=C2)N(C(=O)N3C)C)C)C.[Cl-]

DOS

IR

Vibrations