Geometry & MOs

Info

ID:	134623
PubChem CID:	51728830
Reduced:	OSN3C17H23 (1)
Stoich.:	ABC3D17E23 (1)
Weight, g/mol:	318.164009
ΔH_f, kcal/mol:	1.9
Dipole, Da:	3.11
IP(EA), eV:	-8.62(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

diethyl-[(1S)-2-[(6-methylpyridine-2-carbonyl)amino]-1-thiophen-3-ylethyl]azanium

Drug info:

PubChemData

Smile

CCN(CC)[C@@H](CNC(=O)C1=CC=CC(=N1)C)C2=CSC=C2

DOS

IR

Vibrations