Geometry & MOs

Info

ID:	77246
PubChem CID:	48425969
Reduced:	O2F3N4C12H17 (1)
Stoich.:	A2B3C4D12E17 (1)
Weight, g/mol:	312.130777
ΔH_f, kcal/mol:	-215.65
Dipole, Da:	8.58
IP(EA), eV:	-10.02(-0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(diethylamino)-2-oxoethyl]-3-(4-fluorophenyl)sulfanylpropanamide

Drug info:

PubChemData

Smile

CCN(CC)C(=O)CNC(=O)CN1C=CC(=N1)C(F)(F)F

DOS

IR

Vibrations