Geometry & MOs

Info

ID:	88333
PubChem CID:	49902962
Reduced:	NSO3H23C32 (1)
Stoich.:	ABC3D23E32 (1)
Weight, g/mol:	386.99286
ΔH_f, kcal/mol:	3.13
Dipole, Da:	4.93
IP(EA), eV:	-8.8(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC=C2C=C(C=CC2=C1)COC3=CC=C(C=C3)/C=C\4/C(=O)N(C(=O)S4)CC5=CC=CC6=CC=CC=C65

DOS

IR

Vibrations