Geometry & MOs

Info

ID:

166642

PubChem CID:

74720709

Reduced:

ClNS2O4C25H27 (1)

Stoich.:

ABC2D4E25F27 (1)

Weight, g/mol:

451.214544

ΔHf, kcal/mol:

-48.47

Dipole, Da:

2.87

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 2.311112

Charge, e:

 1

Chem-info

IUPAC name:

3-[3-[(2,8-dimethylimidazo[1,2-a]pyridin-3-yl)-hydroxymethylidene]-2-(4-fluorophenyl)-4,5-dioxopyrrolidin-1-yl]propyl-dimethylazanium

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)C2=CC=C(O2)C=C3C(=O)N(C(=S)S3)CCCCCCCCCCC(=O)[O-])Cl

DOS

IR

Vibrations