Geometry & MOs

Info

ID:

88035

PubChem CID:

49900064

Reduced:

BrNS2O5H20C28 (1)

Stoich.:

ABC2D5E20F28 (1)

Weight, g/mol:

533.086385

ΔHf, kcal/mol:

-103.6

Dipole, Da:

5.63

IP(EA), eV:

 -9.16(-1.29)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(5Z)-5-[[2-[(2-chloro-6-fluorophenyl)methoxy]-3-methoxyphenyl]methylidene]-3-(naphthalen-2-ylmethyl)-1,3-thiazolidine-2,4-dione

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)OC2=C(C=C(C=C2)Br)/C=C\3/C(=O)N(C(=O)S3)CC4=CC5=CC=CC=C5C=C4

DOS

IR

Vibrations