Geometry & MOs

Info

ID:	243237
PubChem CID:	99217497
Reduced:	ClN3O3C24H34 (1)
Stoich.:	AB3C3D24E34 (1)
Weight, g/mol:	402.120248
ΔH_f, kcal/mol:	-156.76
Dipole, Da:	9.98
IP(EA), eV:	-9.17(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R,6R)-N-butyl-1-[2-[(5-chlorothiophen-2-yl)methylsulfanyl]acetyl]-6-methylpiperidine-3-carboxamide

Drug info:

PubChemData

Smile

CCCCNC(=O)[C@H]1CC[C@@H](N(C1)C(=O)C2CCN(CC2)C(=O)C3=CC=C(C=C3)Cl)C

DOS

IR

Vibrations