Geometry & MOs

Info

ID:

163332

PubChem CID:

57767262

Reduced:

ClS2N4O6C21H27 (1)

Stoich.:

AB2C4D6E21F27 (1)

Weight, g/mol:

669.04597

ΔHf, kcal/mol:

-192.38

Dipole, Da:

5.03

IP(EA), eV:

 -8.49(-0.89)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-[4-[(3-bromo-4-nitrophenyl)methylsulfonyl]piperazin-1-yl]-2-(3-chlorophenyl)-4-[[1-(fluoromethyl)cyclopropyl]methoxy]pyridazin-3-one

Drug info:

PubChemData

Smile

CS(=O)(=O)CS(=O)(=O)N1CCN(CC1)C2=C(C(=O)N(N=C2)C3=CC(=CC=C3)Cl)OC4CCCC4

DOS

IR

Vibrations