Geometry & MOs

Info

ID:

88261

PubChem CID:

49902681

Reduced:

BrSN2O2H21C30 (1)

Stoich.:

ABC2D2E21F30 (1)

Weight, g/mol:

635.92154

ΔHf, kcal/mol:

45.26

Dipole, Da:

7.62

IP(EA), eV:

 -8.65(-1.06)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C=CC=C2CN3C=C(C4=CC=CC=C43)/C=C\5/C(=O)N(C(=O)S5)CC6=CC=C(C=C6)Br

DOS

IR

Vibrations