Geometry & MOs

Info

ID:	77531
PubChem CID:	49649997
Reduced:	SN3O4H13C15 (1)
Stoich.:	AB3C4D13E15 (1)
Weight, g/mol:	399.125277
ΔH_f, kcal/mol:	-40.76
Dipole, Da:	3.43
IP(EA), eV:	-9.5(-1.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-(2-cyano-3-cyclobutyl-3-oxopropanoyl)piperidin-1-yl]sulfonylbenzonitrile

Drug info:

PubChemData

Smile

C1CC(C1)C(=O)C(C#N)C(=O)CN2C(=O)OC(=N2)C3=CC=CS3

DOS

IR

Vibrations