Geometry & MOs

Info

ID:

87847

PubChem CID:

49897923

Reduced:

INSCl2O4H20C26 (1)

Stoich.:

ABCD2E4F20G26 (1)

Weight, g/mol:

594.107242

ΔHf, kcal/mol:

-74.33

Dipole, Da:

3.75

IP(EA), eV:

 -8.76(-1.25)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(5Z)-5-[[3-ethoxy-4-[2-nitro-4-(trifluoromethyl)phenoxy]phenyl]methylidene]-3-(naphthalen-2-ylmethyl)-1,3-thiazolidine-2,4-dione

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)COC2=C(C=C(C=C2I)/C=C\3/C(=O)N(C(=O)S3)CC4=C(C=CC=C4Cl)Cl)OC

DOS

IR

Vibrations