Geometry & MOs

Info

ID:

88480

PubChem CID:

49903703

Reduced:

ClN2S2O8H19C25 (1)

Stoich.:

AB2C2D8E19F25 (1)

Weight, g/mol:

598.9998

ΔHf, kcal/mol:

-156.04

Dipole, Da:

10.62

IP(EA), eV:

 -9.17(-1.29)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC1=C(C(=CC(=C1)/C=C\2/C(=O)N(C(=O)S2)CC3=CC=CC=C3[N+](=O)[O-])Cl)OS(=O)(=O)C4=CC=CC=C4

DOS

IR

Vibrations