Geometry & MOs

Info

ID:	137244
PubChem CID:	52176306
Reduced:	SO3N4C19H32 (1)
Stoich.:	AB3C4D19E32 (1)
Weight, g/mol:	397.227337
ΔH_f, kcal/mol:	-132.72
Dipole, Da:	1.89
IP(EA), eV:	-8.82(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

[(1S)-2-[(1-ethoxycarbonylpiperidin-4-yl)carbamoylamino]-1-thiophen-3-ylethyl]-diethylazanium

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations