Geometry & MOs

Info

ID:	198994
PubChem CID:	79185654
Reduced:	SN2O3C9H10 (1)
Stoich.:	AB2C3D9E10 (1)
Weight, g/mol:	307.099063
ΔH_f, kcal/mol:	-35.41
Dipole, Da:	6.69
IP(EA), eV:	-9.87(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-(cyanomethyl)phenyl]sulfonylpiperidine-4-carboxamide

Drug info:

PubChemData

Smile

CONS(=O)(=O)C1=CC=C(C=C1)CC#N

DOS

IR

Vibrations