Geometry & MOs

Info

ID:	137243
PubChem CID:	52176305
Reduced:	SO3N4C19H33 (1)
Stoich.:	AB3C4D19E33 (1)
Weight, g/mol:	396.219512
ΔH_f, kcal/mol:	-128.54
Dipole, Da:	2.54
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.985467
Charge, e:	0

Chem-info

IUPAC name:

ethyl 4-[[(2R)-2-(diethylamino)-2-thiophen-3-ylethyl]carbamoylamino]piperidine-1-carboxylate

Drug info:

PubChemData

Smile

CC[NH+](CC)[C@@H](CNC(=O)NC1CCN(CC1)C(=O)OCC)C2=CSC=C2

DOS

IR

Vibrations