Geometry & MOs

Info

ID:	143993
PubChem CID:	53295458
Reduced:	FSO3N7H14C19 (1)
Stoich.:	ABC3D7E14F19 (1)
Weight, g/mol:	360.113036
ΔH_f, kcal/mol:	15.94
Dipole, Da:	8.18
IP(EA), eV:	-9.35(-1.5)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

2-[(3-cyano-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)sulfanyl]-N-[3-(2-methoxyethyl)oxadiazol-3-ium-5-yl]acetamide

Drug info:

PubChemData

Smile

CC(C(=O)NC1=CC=CC=C1F)SC2=C(C(=C(C(=N2)N)C#N)C3=C(ON=[N+]3C)[O-])C#N

DOS

IR

Vibrations