Geometry & MOs

Info

ID:	172409
PubChem CID:	75505590
Reduced:	O2S2N3C13H15 (1)
Stoich.:	A2B2C3D13E15 (1)
Weight, g/mol:	346.225643
ΔH_f, kcal/mol:	-24.25
Dipole, Da:	7.44
IP(EA), eV:	-9.16(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-hydroxypropan-2-yl)-N-[2-(oxolan-3-yl)-1-phenylethyl]pyrrolidine-1-carboxamide

Drug info:

PubChemData

Smile

CC1=C2CCCCC2=NC(=N1)NS(=O)(=O)C3=CC=CS3

DOS

IR

Vibrations