Geometry & MOs

Info

ID:

87916

PubChem CID:

49898593

Reduced:

ClISN2O5H26C32 (1)

Stoich.:

ABCD2E5F26G32 (1)

Weight, g/mol:

577.03587

ΔHf, kcal/mol:

-98.0

Dipole, Da:

3.48

IP(EA), eV:

 -8.84(-1.61)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(5Z)-5-[[3-bromo-4-[(2-fluorophenyl)methoxy]-5-methoxyphenyl]methylidene]-3-(naphthalen-1-ylmethyl)-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=CC4=CC=CC=C43)I)OCC(=O)NC5=CC(=C(C=C5)C)Cl

DOS

IR

Vibrations