Geometry & MOs

Info

ID:	358559
PubChem CID:	127296191
Reduced:	FSO2N3C21H22 (1)
Stoich.:	ABC2D3E21F22 (1)
Weight, g/mol:	336.184921
ΔH_f, kcal/mol:	-72.92
Dipole, Da:	1.35
IP(EA), eV:	-8.68(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[4-(4-fluorophenyl)oxan-4-yl]amino]-1-morpholin-4-ylpropan-1-one

Drug info:

PubChemData

Smile

C1CC2=C(C1)SC3=C2C(=O)NC(=N3)CNC4(CCOCC4)C5=CC=C(C=C5)F

DOS

IR

Vibrations