Geometry & MOs

Info

ID:	87376
PubChem CID:	49894343
Reduced:	SN2O5H16C20 (1)
Stoich.:	AB2C5D16E20 (1)
Weight, g/mol:	519.081969
ΔH_f, kcal/mol:	-142.39
Dipole, Da:	7.25
IP(EA), eV:	-8.85(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(=O)OC1=CC=C(C=C1)/C=C\2/C(=O)N(C(=O)S2)CC(=O)NC3=CC=CC=C3

DOS

IR

Vibrations