Geometry & MOs

Info

ID:	160513
PubChem CID:	57309861
Reduced:	SN2O7H14C18 (1)
Stoich.:	AB2C7D14E18 (1)
Weight, g/mol:	334.140296
ΔH_f, kcal/mol:	-158.26
Dipole, Da:	12.65
IP(EA), eV:	-9.08(-1.79)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

5-(1,3-dioxolan-2-yl)-2-(5-methyl-3-oxo-5-propan-2-yl-4H-imidazol-3-ium-2-yl)pyridine-3-carboxylic acid

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C(=O)NC2=CC(=C3C=C(C=CC3=C2)S(=O)(=O)O)O)[N+](=O)[O-]

DOS

IR

Vibrations