Geometry & MOs

Info

ID:	157149
PubChem CID:	56422193
Reduced:	FOSN3C23H24 (1)
Stoich.:	ABCD3E23F24 (1)
Weight, g/mol:	446.149799
ΔH_f, kcal/mol:	-23.23
Dipole, Da:	5.95
IP(EA), eV:	-8.41(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-(1,3-dithian-2-yl)phenoxy]-N-(5-fluoro-2-piperidin-1-ylphenyl)acetamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C2=NC(=CS2)CC(=O)NC3=C(C=CC(=C3)F)N4CCCCC4

DOS

IR

Vibrations