Geometry & MOs

Info

ID:

66273

PubChem CID:

46501248

Reduced:

BrNSO3C32H48 (1)

Stoich.:

ABCD3E32F48 (1)

Weight, g/mol:

711.86783

ΔHf, kcal/mol:

-149.76

Dipole, Da:

6.11

IP(EA), eV:

 -9.96(-1.13)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(6E)-4-chloro-6-[[4-[4-[[(E)-(3-chloro-5-iodo-6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino]phenyl]anilino]methylidene]-2-iodocyclohexa-2,4-dien-1-one

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCCCCCCNS(=O)(=O)C1=C(C=CC(=C1)C(=O)C2=CC=C(C=C2)Br)C

DOS

IR

Vibrations