Geometry & MOs

Info

ID:	199200
PubChem CID:	79213933
Reduced:	OSN2C17H18 (1)
Stoich.:	ABC2D17E18 (1)
Weight, g/mol:	296.098334
ΔH_f, kcal/mol:	-3.06
Dipole, Da:	1.45
IP(EA), eV:	-8.02(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(3-aminoprop-1-ynyl)phenyl]-2-methylsulfanylbenzamide

Drug info:

PubChemData

Smile

CSC1=CC=C(C=C1)C(=O)NC2=CC3=C(CCCN3)C=C2

DOS

IR

Vibrations