Geometry & MOs

Info

ID:

88443

PubChem CID:

49903547

Reduced:

BrN2S2O6H21C29 (1)

Stoich.:

AB2C2D6E21F29 (1)

Weight, g/mol:

510.02489

ΔHf, kcal/mol:

-144.08

Dipole, Da:

7.82

IP(EA), eV:

 -8.8(-1.06)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(5Z)-3-[(2-bromophenyl)methyl]-5-[[3-methoxy-4-(pyridin-4-ylmethoxy)phenyl]methylidene]-1,3-thiazolidine-2,4-dione

Drug info:

PubChemData

Smile

CC(=O)NC1=CC=C(C=C1)S(=O)(=O)OC2=C(C3=CC=CC=C3C=C2)/C=C\4/C(=O)N(C(=O)S4)CC5=CC=CC=C5Br

DOS

IR

Vibrations