Geometry & MOs

Info

ID:	156912
PubChem CID:	56394861
Reduced:	FSN2O4C23H25 (1)
Stoich.:	ABC2D4E23F25 (1)
Weight, g/mol:	398.025869
ΔH_f, kcal/mol:	-146.06
Dipole, Da:	8.25
IP(EA), eV:	-9.02(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[(5Z)-5-[(2,4-dichlorophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]pent-4-enamide

Drug info:

PubChemData

Smile

CS(=O)(=O)CC1=C(OC2=CC=CC=C21)C(=O)N3CCCN(CC3)CC4=CC=C(C=C4)F

DOS

IR

Vibrations