Geometry & MOs

Info

ID:	87779
PubChem CID:	49897273
Reduced:	ClSN2O6H23C24 (1)
Stoich.:	ABC2D6E23F24 (1)
Weight, g/mol:	508.085971
ΔH_f, kcal/mol:	-176.72
Dipole, Da:	2.38
IP(EA), eV:	-8.84(-1.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(5Z)-5-[(3-chloro-5-methoxy-4-phenylmethoxyphenyl)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)N3CCOCC3)OCC4=CC(=CC=C4)Cl

DOS

IR

Vibrations