Geometry & MOs

Info

ID:	78324
PubChem CID:	49684484
Reduced:	SO2N4C19H26 (1)
Stoich.:	AB2C4D19E26 (1)
Weight, g/mol:	331.120192
ΔH_f, kcal/mol:	-35.33
Dipole, Da:	4.54
IP(EA), eV:	-8.61(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2,5-dioxopyrrolidin-1-yl)-N-[(1-methylsulfonylpiperidin-4-yl)methyl]acetamide

Drug info:

PubChemData

Smile

CC(C)C1=CC=C(C=C1)S(=O)(=O)NCC2CCN(CC2)C3=NC=CC=N3

DOS

IR

Vibrations