Geometry & MOs

Info

ID:

87731

PubChem CID:

49896862

Reduced:

BrSN3O4C23H24 (1)

Stoich.:

ABC3D4E23F24 (1)

Weight, g/mol:

627.99318

ΔHf, kcal/mol:

-117.62

Dipole, Da:

5.23

IP(EA), eV:

 -8.65(-0.9)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(5Z)-5-[[4-[(2-chlorophenyl)methoxy]-3-iodo-5-methoxyphenyl]methylidene]-3-(2-morpholin-4-yl-2-oxoethyl)-1,3-thiazolidine-2,4-dione

Drug info:

PubChemData

Smile

CC1=CC(=C(N1C2=CC(=C(C=C2)Br)C)C)/C=C\3/C(=O)N(C(=O)S3)CC(=O)N4CCOCC4

DOS

IR

Vibrations