Geometry & MOs

Info

ID:	138226
PubChem CID:	52331154
Reduced:	ClNS2O3C17H18 (1)
Stoich.:	ABC2D3E17F18 (1)
Weight, g/mol:	327.231063
ΔH_f, kcal/mol:	-100.97
Dipole, Da:	9.5
IP(EA), eV:	-8.92(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[(2S)-2-cyanopropyl]-ethylamino]-N-[(1S)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]acetamide

Drug info:

PubChemData

Smile

C[C@]1(CCS(=O)(=O)C1)NC(=O)CSC2=CC=CC3=C2C(=CC=C3)Cl

DOS

IR

Vibrations