Geometry & MOs

Info

ID:	171227
PubChem CID:	75346484
Reduced:	BrFNSO5H27C29 (1)
Stoich.:	ABCDE5F27G29 (1)
Weight, g/mol:	587.07659
ΔH_f, kcal/mol:	-170.05
Dipole, Da:	1.98
IP(EA), eV:	-8.6(-1.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[[5-bromo-2-(naphthalen-1-ylmethoxy)phenyl]methylidene]-3-[2-(2,5-dimethylphenoxy)ethyl]-1,3-thiazolidine-2,4-dione

Drug info:

PubChemData

Smile

CCOC1=C(C(=CC(=C1)C=C2C(=O)N(C(=O)S2)CCOC3=C(C=CC(=C3)C)C)Br)OCC4=CC=CC=C4F

DOS

IR

Vibrations