Geometry & MOs

Info

ID:	87815
PubChem CID:	49897680
Reduced:	SN3O6H29C30 (1)
Stoich.:	AB3C6D29E30 (1)
Weight, g/mol:	405.114713
ΔH_f, kcal/mol:	-161.02
Dipole, Da:	2.56
IP(EA), eV:	-8.79(-1.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)C1=CC=CC=C1NC(=O)COC2=C(C=C(C=C2)/C=C\3/C(=O)N(C(=O)S3)CC(=O)NC4=CC=CC=C4)OC

DOS

IR

Vibrations