Geometry & MOs

Info

ID:	87797
PubChem CID:	49897438
Reduced:	SN3O9H21C27 (1)
Stoich.:	AB3C9D21E27 (1)
Weight, g/mol:	398.093643
ΔH_f, kcal/mol:	-183.04
Dipole, Da:	6.47
IP(EA), eV:	-8.87(-1.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=C(C=CC(=C1)/C=C\2/C(=O)N(C(=O)S2)CC(=O)NC3=CC=CC=C3)OC4=C(C=C(C=C4)C(=O)OC)[N+](=O)[O-]

DOS

IR

Vibrations