Geometry & MOs

Info

ID:	87843
PubChem CID:	49897879
Reduced:	ClSN2O2H23C28 (1)
Stoich.:	ABC2D2E23F28 (1)
Weight, g/mol:	485.120941
ΔH_f, kcal/mol:	-10.05
Dipole, Da:	8.59
IP(EA), eV:	-8.57(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)N2C(=CC(=C2C)/C=C\3/C(=O)N(C(=O)S3)CC4=CC=CC5=CC=CC=C54)C)Cl

DOS

IR

Vibrations