Geometry & MOs

Info

ID:

86642

PubChem CID:

49888071

Reduced:

ClSN2O4H25C30 (1)

Stoich.:

ABC2D4E25F30 (1)

Weight, g/mol:

542.99067

ΔHf, kcal/mol:

-64.14

Dipole, Da:

10.34

IP(EA), eV:

 -8.59(-0.83)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=C(N1C2=CC=C(C=C2)OC3=CC=C(C=C3)OC)C)/C=C\4/C(=O)N(C(=O)S4)CC5=CC=C(C=C5)Cl

DOS

IR

Vibrations