Geometry & MOs

Info

ID:

87554

PubChem CID:

49895340

Reduced:

SN3O3H25C31 (1)

Stoich.:

AB3C3D25E31 (1)

Weight, g/mol:

529.111457

ΔHf, kcal/mol:

6.71

Dipole, Da:

3.45

IP(EA), eV:

 -8.67(-1.2)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(5Z)-5-[[3-chloro-5-methoxy-4-(naphthalen-1-ylmethoxy)phenyl]methylidene]-3-[(3-methylphenyl)methyl]-1,3-thiazolidine-2,4-dione

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)CN2C(=O)/C(=C/C3=C(N(C(=C3)C)C4=CC=C(C=C4)OC5=CC=C(C=C5)C#N)C)/SC2=O

DOS

IR

Vibrations