Geometry & MOs

Info

ID:

163333

PubChem CID:

57768712

Reduced:

BrClFSN5O6C26H26 (1)

Stoich.:

ABCDE5F6G26H26 (1)

Weight, g/mol:

598.140132

ΔHf, kcal/mol:

-102.58

Dipole, Da:

8.82

IP(EA), eV:

 -9.21(-1.31)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[[4-[1-(3-chlorophenyl)-5-[(1-methylcyclopropyl)methoxy]-6-oxopyridazin-4-yl]piperazin-1-yl]sulfonylmethyl]-2-nitrobenzonitrile

Drug info:

PubChemData

Smile

C1CC1(COC2=C(C=NN(C2=O)C3=CC(=CC=C3)Cl)N4CCN(CC4)S(=O)(=O)CC5=CC(=C(C=C5)[N+](=O)[O-])Br)CF

DOS

IR

Vibrations