Geometry & MOs

Info

ID:

88298

PubChem CID:

49902818

Reduced:

SBr2N3O7H13C23 (1)

Stoich.:

AB2C3D7E13F23 (1)

Weight, g/mol:

582.89499

ΔHf, kcal/mol:

-20.26

Dipole, Da:

3.88

IP(EA), eV:

 -9.57(-2.39)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC(=CC=C1CN2C(=O)/C(=C/C3=C(C=CC(=C3)Br)OC4=C(C=C(C=C4)[N+](=O)[O-])[N+](=O)[O-])/SC2=O)Br

DOS

IR

Vibrations