Geometry & MOs

Info

ID:	138513
PubChem CID:	52378590
Reduced:	NS2O3C18H19 (1)
Stoich.:	AB2C3D18E19 (1)
Weight, g/mol:	332.209993
ΔH_f, kcal/mol:	-86.72
Dipole, Da:	2.94
IP(EA), eV:	-8.49(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-1-[4-(4-ethoxy-3-methylphenyl)butanoyl]-N-methylpyrrolidine-3-carboxamide

Drug info:

PubChemData

Smile

C[C@@H](C(=O)OC)SC1=CC=CC=C1C(=O)NC2=CC=C(C=C2)SC

DOS

IR

Vibrations