Geometry & MOs

Info

ID:

87757

PubChem CID:

49897085

Reduced:

N2S2O3H16C19 (1)

Stoich.:

A2B2C3D16E19 (1)

Weight, g/mol:

526.026932

ΔHf, kcal/mol:

-52.91

Dipole, Da:

1.0

IP(EA), eV:

 -8.67(-1.15)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[(5Z)-5-[[(3E)-3-[(2,4-dichlorophenyl)hydrazinylidene]-6-oxocyclohexa-1,4-dien-1-yl]methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]-N-phenylacetamide

Drug info:

PubChemData

Smile

CSC1=CC=C(C=C1)/C=C\2/C(=O)N(C(=O)S2)CC(=O)NC3=CC=CC=C3

DOS

IR

Vibrations