Geometry & MOs

Info

ID:	176112
PubChem CID:	75998395
Reduced:	NO2C7H8 (2)
Stoich.:	AB2C7D8 (2)
Weight, g/mol:	484.10795
ΔH_f, kcal/mol:	20.16
Dipole, Da:	8.33
IP(EA), eV:	-10.25(-1.8)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

4-[2-[5-oxo-1-phenyl-4-(pyridin-3-ylmethylidene)imidazol-2-yl]sulfanylacetyl]-3-phenyl-2H-oxadiazol-3-ium-5-one

Drug info:

PubChemData

Smile

CCCCC(C(=O)O)N1C(=O)C2C=CC=CC2=NC1=O

DOS

IR

Vibrations