Geometry & MOs

Info

ID:

86815

PubChem CID:

49889527

Reduced:

BrSCl2N2O2H21C25 (1)

Stoich.:

ABC2D2E2F21G25 (1)

Weight, g/mol:

433.089641

ΔHf, kcal/mol:

-42.7

Dipole, Da:

9.44

IP(EA), eV:

 -8.67(-1.1)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(5Z)-3-[(4-fluorophenyl)methyl]-5-[[(3E)-6-oxo-3-(phenylhydrazinylidene)cyclohexa-1,4-dien-1-yl]methylidene]-1,3-thiazolidine-2,4-dione

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1Br)C)N2C(=CC(=C2C)/C=C\3/C(=O)N(C(=O)S3)CC4=C(C=C(C=C4)Cl)Cl)C

DOS

IR

Vibrations