Geometry & MOs

Info

ID:	224628
PubChem CID:	85345415
Reduced:	NO2C19H19 (1)
Stoich.:	AB2C19D19 (1)
Weight, g/mol:	293.108565
ΔH_f, kcal/mol:	-17.65
Dipole, Da:	3.47
IP(EA), eV:	-9.28(0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 5-(4-methylphenyl)sulfanylcarbonylpyrrolidine-2-carboxylate

Drug info:

PubChemData

Smile

C1CC2(C(N(C2=O)CC3=CC=CC=C3)C4=CC=CC=C4)OC1

DOS

IR

Vibrations