Geometry & MOs

Info

ID:	173835
PubChem CID:	75689919
Reduced:	SO2N3H21C22 (1)
Stoich.:	AB2C3D21E22 (1)
Weight, g/mol:	409.089641
ΔH_f, kcal/mol:	18.05
Dipole, Da:	4.69
IP(EA), eV:	-9.4(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[5-[(4-fluorophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]-1H-indole-6-carboxamide

Drug info:

PubChemData

Smile

C1CN(C1)C(=O)C(CC2=CC=CC=C2)NC(=O)C3=CC=CC(=C3)C4=CC=NS4

DOS

IR

Vibrations