Geometry & MOs

Info

ID:

88037

PubChem CID:

49900090

Reduced:

BrSN2O5H27C32 (1)

Stoich.:

ABC2D5E27F32 (1)

Weight, g/mol:

683.93856

ΔHf, kcal/mol:

-101.5

Dipole, Da:

3.05

IP(EA), eV:

 -8.73(-1.34)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(5Z)-3-[(2,6-dichlorophenyl)methyl]-5-[[3-ethoxy-5-iodo-4-[(4-nitrophenyl)methoxy]phenyl]methylidene]-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=CC4=CC=CC=C4C=C3)Br)OCC(=O)NC5=CC=CC(=C5)C

DOS

IR

Vibrations