Geometry & MOs

Info

ID:

86846

PubChem CID:

49889642

Reduced:

SCl2N2O4H22C27 (1)

Stoich.:

AB2C2D4E22F27 (1)

Weight, g/mol:

559.02645

ΔHf, kcal/mol:

-96.53

Dipole, Da:

3.0

IP(EA), eV:

 -8.75(-1.39)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)NC(=O)COC2=CC=CC=C2/C=C\3/C(=O)N(C(=O)S3)CC4=C(C=C(C=C4)Cl)Cl)C

DOS

IR

Vibrations