Geometry & MOs

Info

ID:	336270
PubChem CID:	127255277
Reduced:	OSN6C11H16 (1)
Stoich.:	ABC6D11E16 (1)
Weight, g/mol:	455.091784
ΔH_f, kcal/mol:	54.12
Dipole, Da:	2.62
IP(EA), eV:	-9.44(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC[C@H](C)[C@@H](C(=O)NC1=NC=C(S1)C)N2C=NN=N2

DOS

IR

Vibrations