Geometry & MOs

Info

ID:

87961

PubChem CID:

49899084

Reduced:

NSBr2O5H19C29 (1)

Stoich.:

ABC2D5E19F29 (1)

Weight, g/mol:

543.127107

ΔHf, kcal/mol:

-75.36

Dipole, Da:

2.2

IP(EA), eV:

 -8.91(-1.48)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(5Z)-5-[[3-chloro-5-ethoxy-4-[(4-methylphenyl)methoxy]phenyl]methylidene]-3-(naphthalen-1-ylmethyl)-1,3-thiazolidine-2,4-dione

Drug info:

PubChemData

Smile

COC1=C(C(=CC(=C1)/C=C\2/C(=O)N(C(=O)S2)CC3=CC=CC4=CC=CC=C43)Br)OC(=O)C5=CC=CC=C5Br

DOS

IR

Vibrations