Geometry & MOs

Info

ID:

88275

PubChem CID:

49902716

Reduced:

BrSN2O6H21C26 (1)

Stoich.:

ABC2D6E21F26 (1)

Weight, g/mol:

542.99067

ΔHf, kcal/mol:

-74.56

Dipole, Da:

3.33

IP(EA), eV:

 -9.2(-1.53)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(5Z)-3-[(4-bromophenyl)methyl]-5-[[2-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methylidene]-1,3-thiazolidine-2,4-dione

Drug info:

PubChemData

Smile

CCOC1=C(C=CC(=C1)/C=C\2/C(=O)N(C(=O)S2)CC3=CC=C(C=C3)Br)OCC4=CC=C(C=C4)[N+](=O)[O-]

DOS

IR

Vibrations