Geometry & MOs

Info

ID:

171145

PubChem CID:

75335734

Reduced:

ClFSN2O5H26C29 (1)

Stoich.:

ABCD2E5F26G29 (1)

Weight, g/mol:

501.061313

ΔHf, kcal/mol:

-186.0

Dipole, Da:

1.63

IP(EA), eV:

 -8.47(-1.49)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[(2-chloro-6-fluorophenyl)methyl]-5-[[3-[(4-fluorophenyl)methoxy]-4-methoxyphenyl]methylidene]-1,3-thiazolidine-2,4-dione

Drug info:

PubChemData

Smile

CCOC1=C(C=CC(=C1)C=C2C(=O)N(C(=O)S2)CC3=C(C=CC=C3Cl)F)OCC(=O)NC4=CC(=C(C=C4)C)C

DOS

IR

Vibrations