Geometry & MOs

Info

ID:	357327
PubChem CID:	127293960
Reduced:	ON6C19H30 (1)
Stoich.:	AB6C19D30 (1)
Weight, g/mol:	393.172228
ΔH_f, kcal/mol:	-4.71
Dipole, Da:	2.14
IP(EA), eV:	-8.69(0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-benzylsulfonyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)piperidine-3-carboxamide

Drug info:

PubChemData

Smile

CC(C(=O)NC1CC1)N2CCN(CC2)C3=NC=NC(=C3)N4CCCCC4

DOS

IR

Vibrations