Geometry & MOs

Info

ID:

88292

PubChem CID:

49902791

Reduced:

BrNS2O6H18C24 (1)

Stoich.:

ABC2D6E18F24 (1)

Weight, g/mol:

652.96941

ΔHf, kcal/mol:

-148.11

Dipole, Da:

11.02

IP(EA), eV:

 -9.25(-1.04)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)S(=O)(=O)OC2=CC=C(C=C2)/C=C\3/C(=O)N(C(=O)S3)CC4=CC=C(C=C4)Br

DOS

IR

Vibrations