Geometry & MOs

Info

ID:	41846
PubChem CID:	8147277
Reduced:	NOC22H25 (1)
Stoich.:	ABC22D25 (1)
Weight, g/mol:	409.109627
ΔH_f, kcal/mol:	-40.92
Dipole, Da:	3.64
IP(EA), eV:	-8.99(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-acetamido-N-[2-[(5Z)-5-benzylidene-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]benzamide

Drug info:

PubChemData

Smile

C1C2CC3CC1CC(C2)(C3)NC(=O)CC4=CC=CC5=CC=CC=C54

DOS

IR

Vibrations