Geometry & MOs

Info

ID:	171137
PubChem CID:	75332406
Reduced:	BrClFNSO4H14C24 (1)
Stoich.:	ABCDEF4G14H24 (1)
Weight, g/mol:	503.075821
ΔH_f, kcal/mol:	-119.32
Dipole, Da:	4.34
IP(EA), eV:	-9.27(-1.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(2-chloro-4-fluorophenyl)methyl]-5-[[4-(naphthalen-2-ylmethoxy)phenyl]methylidene]-1,3-thiazolidine-2,4-dione

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)Br)C(=O)OC2=CC=C(C=C2)C=C3C(=O)N(C(=O)S3)CC4=C(C=C(C=C4)F)Cl

DOS

IR

Vibrations