Geometry & MOs

Info

ID:

88478

PubChem CID:

49903695

Reduced:

BrClSN2O5H20C26 (1)

Stoich.:

ABCD2E5F20G26 (1)

Weight, g/mol:

508.060818

ΔHf, kcal/mol:

-113.14

Dipole, Da:

4.95

IP(EA), eV:

 -8.87(-1.48)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=C(C(=CC(=C1)/C=C\2/C(=O)N(C(=O)S2)CC3=CC=CC=C3Br)Cl)OCC(=O)NC4=CC=CC=C4

DOS

IR

Vibrations