Geometry & MOs

Info

ID:	88092
PubChem CID:	49900877
Reduced:	BrNSO2H14C21 (1)
Stoich.:	ABCD2E14F21 (1)
Weight, g/mol:	485.085242
ΔH_f, kcal/mol:	3.87
Dipole, Da:	3.06
IP(EA), eV:	-8.87(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5Z)-5-[[5-[(2-chlorophenyl)methyl]-2-hydroxyphenyl]methylidene]-3-(naphthalen-1-ylmethyl)-1,3-thiazolidine-2,4-dione

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C=CC=C2CN3C(=O)/C(=C/C4=CC=CC=C4Br)/SC3=O

DOS

IR

Vibrations