Geometry & MOs

Info

ID:

86879

PubChem CID:

49889874

Reduced:

BrNSCl3O4H13C24 (1)

Stoich.:

ABCD3E4F13G24 (1)

Weight, g/mol:

639.03765

ΔHf, kcal/mol:

-89.48

Dipole, Da:

3.56

IP(EA), eV:

 -9.45(-1.58)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(5Z)-5-[[3-ethoxy-5-iodo-4-(naphthalen-1-ylmethoxy)phenyl]methylidene]-3-[(4-fluorophenyl)methyl]-1,3-thiazolidine-2,4-dione

Drug info:

PubChemData

Smile

C1=CC(=CC=C1C(=O)OC2=C(C=C(C=C2)/C=C\3/C(=O)N(C(=O)S3)CC4=C(C=C(C=C4)Cl)Cl)Br)Cl

DOS

IR

Vibrations