Geometry & MOs

Info

ID:	359025
PubChem CID:	127297269
Reduced:	NOC5H5 (3)
Stoich.:	ABC5D5 (3)
Weight, g/mol:	271.099063
ΔH_f, kcal/mol:	-51.76
Dipole, Da:	3.23
IP(EA), eV:	-9.08(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[cyano(cyclopropyl)methyl]-3-(1,1-dioxo-1,2-thiazolidin-2-yl)propanamide

Drug info:

PubChemData

Smile

C1CC1C(C#N)NC(=O)CC2C(=O)NC3=CC=CC=C3O2

DOS

IR

Vibrations