Geometry & MOs

Info

ID:

88045

PubChem CID:

49900141

Reduced:

SCl2N3O5H13C22 (1)

Stoich.:

AB2C3D5E13F22 (1)

Weight, g/mol:

635.95243

ΔHf, kcal/mol:

-34.91

Dipole, Da:

5.47

IP(EA), eV:

 -9.61(-1.77)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(5Z)-5-[[3-bromo-5-ethoxy-4-[(4-nitrophenyl)methoxy]phenyl]methylidene]-3-[(2,6-dichlorophenyl)methyl]-1,3-thiazolidine-2,4-dione

Drug info:

PubChemData

Smile

C1=CC(=CC=C1/C=C\2/C(=O)N(C(=O)S2)CC3=CC(=C(C=C3)Cl)Cl)OC4=NC=C(C=C4)[N+](=O)[O-]

DOS

IR

Vibrations