Geometry & MOs

Info

ID:	37353
PubChem CID:	8020086
Reduced:	SN2O3C17H20 (1)
Stoich.:	AB2C3D17E20 (1)
Weight, g/mol:	366.157957
ΔH_f, kcal/mol:	-77.72
Dipole, Da:	3.58
IP(EA), eV:	-9.09(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-oxo-2-[2-(phenylcarbamoyl)anilino]ethyl] cyclopentanecarboxylate

Drug info:

PubChemData

Smile

C[C@@H]1CCC2=C(C1)SC(=C2C#N)NC(=O)COC(=O)[C@@H]3C[C@H]3C

DOS

IR

Vibrations