Geometry & MOs

Info

ID:

87560

PubChem CID:

49895394

Reduced:

INSO6H22C27 (1)

Stoich.:

ABCD6E22F27 (1)

Weight, g/mol:

622.98303

ΔHf, kcal/mol:

-134.35

Dipole, Da:

4.23

IP(EA), eV:

 -9.2(-1.3)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)CN2C(=O)/C(=C/C3=CC(=C(C(=C3)I)OC(=O)C4=CC=C(C=C4)OC)OC)/SC2=O

DOS

IR

Vibrations