Geometry & MOs

Info

ID:

186512

PubChem CID:

77440490

Reduced:

ClSO2N4C20H21 (1)

Stoich.:

ABC2D4E20F21 (1)

Weight, g/mol:

587.208151

ΔHf, kcal/mol:

-15.92

Dipole, Da:

6.08

IP(EA), eV:

 -9.32(-0.94)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-(2-oxopiperidin-4-yl)ethenyl 4-[2-chloro-N-[1-(5-methylsulfonylpyridin-2-yl)ethenyl]anilino]-4-hydrazinylidene-2,3-dimethylbutanehydrazonate

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C2=CC(=NC=N2)NCC(C3=CC=C(C=C3)S(=O)(=O)C)N)Cl

DOS

IR

Vibrations