Geometry & MOs

Info

ID:

86674

PubChem CID:

49888417

Reduced:

ClSBr2N2O5H15C24 (1)

Stoich.:

ABC2D2E5F15G24 (1)

Weight, g/mol:

517.047475

ΔHf, kcal/mol:

-33.89

Dipole, Da:

5.73

IP(EA), eV:

 -9.69(-1.78)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(5Z)-3-[(4-chlorophenyl)methyl]-5-[[(3E)-6-oxo-3-[[3-(trifluoromethyl)phenyl]hydrazinylidene]cyclohexa-1,4-dien-1-yl]methylidene]-1,3-thiazolidine-2,4-dione

Drug info:

PubChemData

Smile

C1=CC(=CC=C1CN2C(=O)/C(=C/C3=CC(=C(C(=C3)Br)OCC4=CC=C(C=C4)[N+](=O)[O-])Br)/SC2=O)Cl

DOS

IR

Vibrations