Geometry & MOs

Info

ID:	154867
PubChem CID:	56314410
Reduced:	FS2N3O3C19H24 (1)
Stoich.:	AB2C3D3E19F24 (1)
Weight, g/mol:	420.221306
ΔH_f, kcal/mol:	-108.23
Dipole, Da:	6.02
IP(EA), eV:	-8.56(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-1-[4-[(2-fluorophenyl)methyl]-1,4-diazepan-1-yl]-2-(6-methoxynaphthalen-2-yl)propan-1-one

Drug info:

PubChemData

Smile

CN(CC(=O)N1CCCN(CC1)CC2=CC=CC=C2F)S(=O)(=O)C3=CC=CS3

DOS

IR

Vibrations