Geometry & MOs

Info

ID:	154875
PubChem CID:	56314420
Reduced:	FON3H20C21 (1)
Stoich.:	ABC3D20E21 (1)
Weight, g/mol:	311.171914
ΔH_f, kcal/mol:	-9.22
Dipole, Da:	3.83
IP(EA), eV:	-9.61(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(2-fluorophenyl)-2-methylpropyl]-2-(3-methylbutylsulfanyl)acetamide

Drug info:

PubChemData

Smile

CC(C)(CNC(=O)C1=CN=C(N=C1)C2=CC=CC=C2)C3=CC=CC=C3F

DOS

IR

Vibrations