Geometry & MOs

Info

ID:	175786
PubChem CID:	75946875
Reduced:	S2N4O5C20H28 (1)
Stoich.:	A2B4C5D20E28 (1)
Weight, g/mol:	408.01433
ΔH_f, kcal/mol:	-133.18
Dipole, Da:	10.17
IP(EA), eV:	-8.63(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=CC(=CC=C1)S(=O)(=O)CCSC2=NN=C(N2CC3CCCO3)N4CCOCC4

DOS

IR

Vibrations