Geometry & MOs

Info

ID:	21471
PubChem CID:	588533
Reduced:	FSN2O3H21C22 (1)
Stoich.:	ABC2D3E21F22 (1)
Weight, g/mol:	412.125692
ΔH_f, kcal/mol:	-107.43
Dipole, Da:	1.54
IP(EA), eV:	-8.7(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(2-fluorophenoxy)ethyl]-2-[2-(naphthalen-2-ylamino)-2-oxoethyl]sulfanylacetamide

Drug info:

PubChemData

Smile

C1=CC=C2C=C(C=CC2=C1)NC(=O)CSCC(=O)NCCOC3=CC=CC=C3F

DOS

IR

Vibrations