Geometry & MOs

Info

ID:	87816
PubChem CID:	49897682
Reduced:	SN3O3H19C22 (1)
Stoich.:	AB3C3D19E22 (1)
Weight, g/mol:	496.065984
ΔH_f, kcal/mol:	-50.44
Dipole, Da:	9.74
IP(EA), eV:	-8.7(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(5Z)-5-[[3-[(2-chloro-6-fluorophenyl)methoxy]phenyl]methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]-N-phenylacetamide

Drug info:

PubChemData

Smile

CCN1C=C(C2=CC=CC=C21)/C=C\3/C(=O)N(C(=O)S3)CC(=O)NC4=CC=CC=C4

DOS

IR

Vibrations