Geometry & MOs

Info

ID:	302794
PubChem CID:	124395640
Reduced:	SCl2N3O4H11C20 (1)
Stoich.:	AB2C3D4E11F20 (1)
Weight, g/mol:	411.161663
ΔH_f, kcal/mol:	41.32
Dipole, Da:	6.49
IP(EA), eV:	-8.93(-1.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5E)-5-[[1-[(2S)-butan-2-yl]indol-3-yl]methylidene]-3-(2-oxo-2-pyrrolidin-1-ylethyl)-1,3-thiazolidine-2,4-dione

Drug info:

PubChemData

Smile

C1=CC(=C(C(=C1)Cl)Cl)C2=CC=C(O2)/C=N/NC(=O)C3=CC4=C(S3)C=CC(=C4)[N+](=O)[O-]

DOS

IR

Vibrations