Geometry & MOs

Info

ID:

171024

PubChem CID:

75312732

Reduced:

SCl2O3N4C18H23 (1)

Stoich.:

AB2C3D4E18F23 (1)

Weight, g/mol:

435.069592

ΔHf, kcal/mol:

-71.99

Dipole, Da:

4.89

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 1.075426

Charge, e:

 0

Chem-info

IUPAC name:

3-benzyl-5-[[2-[(4-chlorophenyl)methoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione

Drug info:

PubChemData

Smile

C1CC2C(CC1Cl)NC(NC2=O)CSC(=NC3=CC4=C(C=C3)OCCO4)N.[Cl-]

DOS

IR

Vibrations