Geometry & MOs

Info

ID:	77512
PubChem CID:	49649879
Reduced:	FN2O2H21C24 (1)
Stoich.:	AB2C2D21E24 (1)
Weight, g/mol:	334.098728
ΔH_f, kcal/mol:	-32.36
Dipole, Da:	6.6
IP(EA), eV:	-8.84(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(2-cyano-3-cyclobutyl-3-oxopropanoyl)phenyl]-N-methylmethanesulfonamide

Drug info:

PubChemData

Smile

C1CC(C1)C(=O)C(C#N)C(=O)CCC2=C(NC3=C2C=C(C=C3)F)C4=CC=CC=C4

DOS

IR

Vibrations