Geometry & MOs

Info

ID:

87973

PubChem CID:

49899226

Reduced:

SCl2N2O6H18C25 (1)

Stoich.:

AB2C2D6E18F25 (1)

Weight, g/mol:

596.95678

ΔHf, kcal/mol:

-87.35

Dipole, Da:

5.54

IP(EA), eV:

 -9.12(-1.49)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(5Z)-5-[[3-bromo-5-chloro-4-[(2-chlorophenyl)methoxy]phenyl]methylidene]-3-(naphthalen-2-ylmethyl)-1,3-thiazolidine-2,4-dione

Drug info:

PubChemData

Smile

COC1=C(C=CC(=C1)/C=C\2/C(=O)N(C(=O)S2)CC3=CC(=C(C=C3)Cl)Cl)OCC4=CC=C(C=C4)[N+](=O)[O-]

DOS

IR

Vibrations