Geometry & MOs

Info

ID:

171038

PubChem CID:

75317044

Reduced:

SN3O7H21C23 (1)

Stoich.:

AB3C7D21E23 (1)

Weight, g/mol:

500.092119

ΔHf, kcal/mol:

-136.89

Dipole, Da:

5.96

IP(EA), eV:

 -9.34(-1.53)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-[[3-[(3-chloro-4-methylphenyl)hydrazinylidene]-6-oxocyclohexa-1,4-dien-1-yl]methylidene]-3-(2-morpholin-4-yl-2-oxoethyl)-1,3-thiazolidine-2,4-dione

Drug info:

PubChemData

Smile

C1COCCN1C(=O)CN2C(=O)C(=CC3=CC=CC=C3OCC4=CC=C(C=C4)[N+](=O)[O-])SC2=O

DOS

IR

Vibrations