Geometry & MOs

Info

ID:	135882
PubChem CID:	51952674
Reduced:	ON2C19H29 (1)
Stoich.:	AB2C19D29 (1)
Weight, g/mol:	403.102434
ΔH_f, kcal/mol:	21.71
Dipole, Da:	2.65
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.798083
Charge, e:	0

Chem-info

IUPAC name:

(3S)-3-(methanesulfonamido)-N-[3-(2-thiophen-2-ylethynyl)phenyl]piperidine-1-carboxamide

Drug info:

PubChemData

Smile

CCN(C1CC1)C(=O)C[NH+](CC2=CC=CC=C2)[C@@H](C)C3CC3

DOS

IR

Vibrations