Geometry & MOs

Info

ID:

88322

PubChem CID:

49902925

Reduced:

ClN2S2O6H19C25 (1)

Stoich.:

AB2C2D6E19F25 (1)

Weight, g/mol:

627.99154

ΔHf, kcal/mol:

-171.78

Dipole, Da:

6.55

IP(EA), eV:

 -9.11(-1.18)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(5Z)-5-[[3-bromo-4-[2-nitro-4-(trifluoromethyl)phenoxy]phenyl]methylidene]-3-(naphthalen-1-ylmethyl)-1,3-thiazolidine-2,4-dione

Drug info:

PubChemData

Smile

CC(=O)NC1=CC=C(C=C1)S(=O)(=O)OC2=CC=CC=C2/C=C\3/C(=O)N(C(=O)S3)CC4=CC(=CC=C4)Cl

DOS

IR

Vibrations