Geometry & MOs

Info

ID:

219904

PubChem CID:

85165027

Reduced:

ClO3N5H28C36 (1)

Stoich.:

AB3C5D28E36 (1)

Weight, g/mol:

613.93335

ΔHf, kcal/mol:

26.75

Dipole, Da:

3.75

IP(EA), eV:

 -8.32(-0.78)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-bromo-6-[[3-[3-[(3-bromo-6-oxocyclohexa-2,4-dien-1-ylidene)methylamino]phenyl]sulfonylanilino]methylidene]cyclohexa-2,4-dien-1-one

Drug info:

PubChemData

Smile

C1C(C2=C3C=CNC3=C(C=C2N1C(=O)C4=CC5=C(N4)C=CC(=C5)NC(=O)C6=CC7=CC=CC=C7N6)OCC8=CC=CC=C8)CCl

DOS

IR

Vibrations