Geometry & MOs

Info

ID:	86610
PubChem CID:	49887588
Reduced:	BrClNSO4H15C24 (1)
Stoich.:	ABCDE4F15G24 (1)
Weight, g/mol:	510.065235
ΔH_f, kcal/mol:	-71.86
Dipole, Da:	4.46
IP(EA), eV:	-9.45(-1.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5Z)-3-[(2-chlorophenyl)methyl]-5-[(5-methoxy-2-nitro-4-phenylmethoxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C(=O)OC2=C(C=C(C=C2)Br)/C=C\3/C(=O)N(C(=O)S3)CC4=CC=CC=C4Cl

DOS

IR

Vibrations