Geometry & MOs

Info

ID:	56602
PubChem CID:	17487169
Reduced:	FSN3O3C21H22 (1)
Stoich.:	ABC3D3E21F22 (1)
Weight, g/mol:	386.236956
ΔH_f, kcal/mol:	-103.4
Dipole, Da:	1.46
IP(EA), eV:	-8.82(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(1-adamantylmethylamino)-3-methyl-1-oxobutan-2-yl]-2-fluorobenzamide

Drug info:

PubChemData

Smile

CC1=NC(=CS1)C2=CC=C(O2)CNC(=O)C(C(C)C)NC(=O)C3=CC=CC=C3F

DOS

IR

Vibrations