Geometry & MOs

Info

ID:

87485

PubChem CID:

49894939

Reduced:

BrSN2O4H17C20 (1)

Stoich.:

ABC2D4E17F20 (1)

Weight, g/mol:

463.07574

ΔHf, kcal/mol:

-104.51

Dipole, Da:

1.05

IP(EA), eV:

 -9.42(-1.49)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(5Z)-5-[[(3E)-3-[(3-chlorophenyl)hydrazinylidene]-6-oxocyclohexa-1,4-dien-1-yl]methylidene]-3-[(2-methylphenyl)methyl]-1,3-thiazolidine-2,4-dione

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)CN2C(=O)/C(=C/C3=C(C=CC(=C3)Br)OCC(=O)N)/SC2=O

DOS

IR

Vibrations