Geometry & MOs

Info

ID:	177803
PubChem CID:	76232281
Reduced:	N3O3H25C26 (1)
Stoich.:	A3B3C25D26 (1)
Weight, g/mol:	485.107913
ΔH_f, kcal/mol:	-10.88
Dipole, Da:	0.9
IP(EA), eV:	-8.81(-1.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(5-benzylidene-2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]-3-(2-phenylethenylsulfonylamino)propanamide

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C(C2=CC=CC=C2)NC(=O)CCCC3=NC(=O)C4C=CC=CC4=N3

DOS

IR

Vibrations