Geometry & MOs

Info

ID:	361070
PubChem CID:	127301960
Reduced:	O3N6C17H26 (1)
Stoich.:	A3B6C17D26 (1)
Weight, g/mol:	393.208613
ΔH_f, kcal/mol:	-107.63
Dipole, Da:	3.39
IP(EA), eV:	-8.67(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-N-[(1-ethylpiperidin-2-yl)methyl]-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CCN1CCCCC1CNC(=O)CN2C(=O)C3=C(N=CN3C)N(C2=O)C

DOS

IR

Vibrations