Geometry & MOs

Info

ID:	87827
PubChem CID:	49897761
Reduced:	ClNSO5H20C28 (1)
Stoich.:	ABCD5E20F28 (1)
Weight, g/mol:	525.90205
ΔH_f, kcal/mol:	-104.76
Dipole, Da:	1.55
IP(EA), eV:	-8.98(-1.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(5Z)-5-[(3,5-dibromo-4-methoxyphenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]-N-phenylacetamide

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(C=CC(=C1)C2=CC=C(O2)/C=C\3/C(=O)N(C(=O)S3)CC4=CC5=CC=CC=C5C=C4)Cl

DOS

IR

Vibrations