Geometry & MOs

Info

ID:	241837
PubChem CID:	96024378
Reduced:	NOSC17H19 (1)
Stoich.:	ABCD17E19 (1)
Weight, g/mol:	294.140199
ΔH_f, kcal/mol:	-12.67
Dipole, Da:	4.91
IP(EA), eV:	-9.1(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C2=C(CCN[C@@H]2C3=CC=C(S3)C(=O)C)C=C1)C

DOS

IR

Vibrations