Geometry & MOs

Info

ID:	130748
PubChem CID:	51099390
Reduced:	SO3N4C15H20 (1)
Stoich.:	AB3C4D15E20 (1)
Weight, g/mol:	323.166748
ΔH_f, kcal/mol:	-75.14
Dipole, Da:	7.96
IP(EA), eV:	-9.02(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methyl-1-[(3-methylthiophen-2-yl)methyl]-3-(1-oxo-1-piperidin-1-ylpropan-2-yl)urea

Drug info:

PubChemData

Smile

CN(C1CCN(CC1)C(=O)NC2=CC=CC(=C2)C#N)S(=O)(=O)C

DOS

IR

Vibrations