Geometry & MOs

Info

ID:

190259

PubChem CID:

77978383

Reduced:

BrSCl2O4N6C27H27 (1)

Stoich.:

ABC2D4E6F27G27 (1)

Weight, g/mol:

654.01061

ΔHf, kcal/mol:

-73.55

Dipole, Da:

4.45

IP(EA), eV:

 -9.34(-1.07)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

ethyl 1-[5-(4-bromophenyl)-7-(3,5-dichlorophenyl)-5-methyl-6-oxoimidazo[1,2-a]imidazol-3-yl]sulfonylpiperidine-2-carboxylate

Drug info:

PubChemData

Smile

CC1(C(=O)N(C2=NC=C(N21)S(=O)(=O)N3CCN(CC3)C(=O)C4CCCN4)C5=CC(=CC(=C5)Cl)Cl)C6=CC=C(C=C6)Br

DOS

IR

Vibrations