Geometry & MOs

Info

ID:	87529
PubChem CID:	49895227
Reduced:	BrNSO5H18C21 (1)
Stoich.:	ABCD5E18F21 (1)
Weight, g/mol:	386.99286
ΔH_f, kcal/mol:	-146.04
Dipole, Da:	3.4
IP(EA), eV:	-9.23(-1.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)CN2C(=O)/C(=C/C3=C(C=CC(=C3)Br)OCC(=O)OC)/SC2=O

DOS

IR

Vibrations