Geometry & MOs

Info

ID:	290026
PubChem CID:	104398036
Reduced:	BrON3C14H18 (1)
Stoich.:	ABC3D14E18 (1)
Weight, g/mol:	319.192963
ΔH_f, kcal/mol:	-13.96
Dipole, Da:	5.89
IP(EA), eV:	-9.06(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-tert-butyl-2-(2-piperidin-2-ylethylsulfonylamino)propanamide

Drug info:

PubChemData

Smile

CC(C)CNC(=O)C(C)NC1=C(C=C(C=C1)C#N)Br

DOS

IR

Vibrations