Geometry & MOs

Info

ID:	196703
PubChem CID:	78866726
Reduced:	SO2N3C24H29 (1)
Stoich.:	AB2C3D24E29 (1)
Weight, g/mol:	296.153621
ΔH_f, kcal/mol:	-40.83
Dipole, Da:	5.5
IP(EA), eV:	-8.44(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[[2-(4-fluorophenyl)-2-hydroxyethyl]amino]-2-oxoethyl]-2,2-dimethylpropanamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1CSCC(=O)NC2=C(C3=C(N2CC4CCCO4)CCCC3)C#N

DOS

IR

Vibrations