Geometry & MOs

Info

ID:	336271
PubChem CID:	127255278
Reduced:	ClSN3O6C19H22 (1)
Stoich.:	ABC3D6E19F22 (1)
Weight, g/mol:	420.122932
ΔH_f, kcal/mol:	-191.61
Dipole, Da:	12.12
IP(EA), eV:	-9.58(-1.43)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

3-(1-hydroxy-3,4,5-trimethylimidazol-3-ium-2-yl)-3-[5-(4-sulfamoylphenyl)furan-2-yl]propanoic acid

Drug info:

PubChemData

Smile

CC1=C([N+](=C(N1O)C(CC(=O)O)C2=CC=C(O2)C3=CC=C(C=C3)S(=O)(=O)N)C)C.[Cl-]

DOS

IR

Vibrations