Geometry & MOs

Info

ID:	137628
PubChem CID:	52237060
Reduced:	N2S2O3C17H28 (1)
Stoich.:	A2B2C3D17E28 (1)
Weight, g/mol:	351.198048
ΔH_f, kcal/mol:	-147.77
Dipole, Da:	2.96
IP(EA), eV:	-9.33(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-N-[(2R)-2-(dimethylamino)-2-thiophen-3-ylethyl]-1-(2-methylpropanoyl)piperidine-3-carboxamide

Drug info:

PubChemData

Smile

CC1CCC(CC1)NC(=O)[C@@H](C)S(=O)(=O)CC2=CSC(=N2)C(C)C

DOS

IR

Vibrations