Geometry & MOs

Info

ID:

171132

PubChem CID:

75332079

Reduced:

FNSCl3O5H17C26 (1)

Stoich.:

ABCD3E5F17G26 (1)

Weight, g/mol:

517.031763

ΔHf, kcal/mol:

-180.82

Dipole, Da:

2.75

IP(EA), eV:

 -9.26(-1.63)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[(2-chloro-4-fluorophenyl)methyl]-5-[[4-[(2-chlorophenyl)methoxy]-3-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=C(C=C3)F)Cl)Cl)OC(=O)C4=CC(=CC=C4)Cl

DOS

IR

Vibrations