Geometry & MOs

Info

ID:

88248

PubChem CID:

49902603

Reduced:

BrSN2O5H17C24 (1)

Stoich.:

ABC2D5E17F24 (1)

Weight, g/mol:

636.91478

ΔHf, kcal/mol:

-32.01

Dipole, Da:

6.71

IP(EA), eV:

 -9.6(-1.54)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(5Z)-5-[[3-bromo-4-[(4-chlorophenyl)methoxy]-5-ethoxyphenyl]methylidene]-3-[(4-bromophenyl)methyl]-1,3-thiazolidine-2,4-dione

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)OCC2=CC=C(C=C2)[N+](=O)[O-])/C=C\3/C(=O)N(C(=O)S3)CC4=CC=C(C=C4)Br

DOS

IR

Vibrations