Geometry & MOs

Info

ID:

88389

PubChem CID:

49903178

Reduced:

BrNSO5H22C30 (1)

Stoich.:

ABCD5E22F30 (1)

Weight, g/mol:

652.91687

ΔHf, kcal/mol:

-85.61

Dipole, Da:

6.15

IP(EA), eV:

 -9.35(-1.51)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=CC=C1CN2C(=O)/C(=C/C3=CC(=C(C(=C3)Br)OC(=O)C4=CC=CC5=CC=CC=C54)OC)/SC2=O

DOS

IR

Vibrations