Geometry & MOs

Info

ID:

233123

PubChem CID:

87692434

Reduced:

ISCl3O4N6H20C26 (1)

Stoich.:

ABC3D4E6F20G26 (1)

Weight, g/mol:

393.132471

ΔHf, kcal/mol:

-31.84

Dipole, Da:

8.51

IP(EA), eV:

 -8.73(-1.81)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-[5-[(5Z)-5-(3-methyl-4-oxocyclohexa-2,5-dien-1-ylidene)-2H-1,2,4-oxadiazol-3-yl]-2,3-dihydroindol-1-yl]-4-oxobutanoic acid

Drug info:

PubChemData

Smile

CC1=NN=C(C=C1)N2C=CC3=CC(=C(C=C32)Cl)N(CC(=O)O)S(=O)(=O)C4=CC(=CC(=C4)Cl)Cl.CC1=NN=C(C=C1)I

DOS

IR

Vibrations