Geometry & MOs

Info

ID:

190258

PubChem CID:

77978378

Reduced:

BSF3O3N4C31H32 (1)

Stoich.:

ABC3D3E4F31G32 (1)

Weight, g/mol:

680.03749

ΔHf, kcal/mol:

-272.23

Dipole, Da:

4.29

IP(EA), eV:

 -9.06(-1.07)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-(4-bromophenyl)-7-(3,5-dichlorophenyl)-5-methyl-3-[4-(pyrrolidine-2-carbonyl)piperazin-1-yl]sulfonylimidazo[1,2-a]imidazol-6-one

Drug info:

PubChemData

Smile

B1(OC(C(O1)(C)C)(C)C)C2=CC3=C(C=C2)C(CCC3)(C4=NC=C(S4)C5=NC(=CC(=C5)C)NC6=NC=CC(=C6)C(F)(F)F)O

DOS

IR

Vibrations