Geometry & MOs

Info

ID:	88193
PubChem CID:	49902250
Reduced:	BrINSO5H17C25 (1)
Stoich.:	ABCDE5F17G25 (1)
Weight, g/mol:	415.02416
ΔH_f, kcal/mol:	-78.11
Dipole, Da:	4.42
IP(EA), eV:	-9.14(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5Z)-3-[(4-bromophenyl)methyl]-5-[(2,4,6-trimethylphenyl)methylidene]-1,3-thiazolidine-2,4-dione

Drug info:

PubChemData

Smile

COC1=C(C=CC(=C1)/C=C\2/C(=O)N(C(=O)S2)CC3=CC=C(C=C3)Br)OC(=O)C4=CC=CC=C4I

DOS

IR

Vibrations