Geometry & MOs

Info

ID:	242848
PubChem CID:	99213355
Reduced:	FN3O4C23H24 (1)
Stoich.:	AB3C4D23E24 (1)
Weight, g/mol:	430.172642
ΔH_f, kcal/mol:	-171.03
Dipole, Da:	1.06
IP(EA), eV:	-9.63(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-(dimethylamino)-2-oxoethyl]sulfanyl-N-[[4-(3-fluorophenyl)oxan-4-yl]methyl]benzamide

Drug info:

PubChemData

Smile

C1COCCC1(CNC(=O)C2=CC=CC=C2CN3C(=O)CNC3=O)C4=CC(=CC=C4)F

DOS

IR

Vibrations