Geometry & MOs

Info

ID:

171244

PubChem CID:

75349193

Reduced:

NSO4H25C30 (1)

Stoich.:

ABC4D25E30 (1)

Weight, g/mol:

529.086305

ΔHf, kcal/mol:

-59.35

Dipole, Da:

5.68

IP(EA), eV:

 -8.44(-1.36)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-[[3-[(3-chlorophenyl)hydrazinylidene]-6-oxocyclohexa-1,4-dien-1-yl]methylidene]-3-(2-naphthalen-1-yloxyethyl)-1,3-thiazolidine-2,4-dione

Drug info:

PubChemData

Smile

CC1=CC=CC=C1COC2=CC=C(C=C2)C=C3C(=O)N(C(=O)S3)CCOC4=CC=CC5=CC=CC=C54

DOS

IR

Vibrations