Geometry & MOs

Info

ID:	228603
PubChem CID:	87565396
Reduced:	ClFSN4O4C23H26 (1)
Stoich.:	ABCD4E4F23G26 (1)
Weight, g/mol:	278.141913
ΔH_f, kcal/mol:	-137.24
Dipole, Da:	5.85
IP(EA), eV:	-9.59(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(1-naphthalen-1-ylethylamino)hex-4-en-2-ynamide

Drug info:

PubChemData

Smile

CC(=O)SC\1CCN(C/C1=C\C2=CN=NN2CC(=O)O)C(C3=CC=CC=C3F)C(=O)C4CC4.Cl

DOS

IR

Vibrations