Geometry & MOs

Info

ID:	356840
PubChem CID:	127292380
Reduced:	SO3N5C17H33 (1)
Stoich.:	AB3C5D17E33 (1)
Weight, g/mol:	361.203528
ΔH_f, kcal/mol:	-141.17
Dipole, Da:	6.61
IP(EA), eV:	-8.59(0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(1-methylsulfonylpiperidin-3-yl)-1-(oxan-2-ylmethyl)-1-propylurea

Drug info:

PubChemData

Smile

CCN1CCN(CC1)C2CCN(C2)C(=O)NC3CCCN(C3)S(=O)(=O)C

DOS

IR

Vibrations