Geometry & MOs

Info

ID:	171100
PubChem CID:	75328321
Reduced:	BrSN3O4H14C21 (1)
Stoich.:	ABC3D4E14F21 (1)
Weight, g/mol:	523.04529
ΔH_f, kcal/mol:	14.55
Dipole, Da:	6.11
IP(EA), eV:	-9.45(-1.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(4-bromophenyl)methyl]-5-[[4-[2-(4-methylphenoxy)ethoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione

Drug info:

PubChemData

Smile

C1=CN(C(=C1)C=C2C(=O)N(C(=O)S2)CC3=CC=C(C=C3)Br)C4=CC=C(C=C4)[N+](=O)[O-]

DOS

IR

Vibrations