Geometry & MOs

Info

ID:	137737
PubChem CID:	52255267
Reduced:	ClO3N4C19H26 (1)
Stoich.:	AB3C4D19E26 (1)
Weight, g/mol:	392.107375
ΔH_f, kcal/mol:	-77.05
Dipole, Da:	3.24
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.131662
Charge, e:	0

Chem-info

IUPAC name:

(3S)-N-(5-chloropyridin-2-yl)-1-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]piperidine-3-carboxamide

Drug info:

PubChemData

Smile

CC[C@]1(C(=O)N(C(=O)N1)NC(=O)C[NH+](C2CC2)[C@@H](C)C3=CC=CC=C3Cl)C

DOS

IR

Vibrations