Geometry & MOs

Info

ID:	241839
PubChem CID:	96024380
Reduced:	NOSC17H19 (1)
Stoich.:	ABCD17E19 (1)
Weight, g/mol:	294.140199
ΔH_f, kcal/mol:	-14.56
Dipole, Da:	5.88
IP(EA), eV:	-9.02(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-N-methyl-1-[2-(4-methylsulfanylphenoxy)ethyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1C)[C@@H](NCC2)C3=CC=C(S3)C(=O)C

DOS

IR

Vibrations