Geometry & MOs

Info

ID:	363706
PubChem CID:	127313324
Reduced:	SN3O3C20H29 (1)
Stoich.:	AB3C3D20E29 (1)
Weight, g/mol:	392.188212
ΔH_f, kcal/mol:	-122.7
Dipole, Da:	2.85
IP(EA), eV:	-9.35(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-methyl-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CN(CC(=O)NCC1=CC=CS1)C(=O)C2CCCCC2C(=O)N3CCCC3

DOS

IR

Vibrations