Geometry & MOs

Info

ID:	355992
PubChem CID:	127290982
Reduced:	SO3N6C17H30 (1)
Stoich.:	AB3C6D17E30 (1)
Weight, g/mol:	319.156577
ΔH_f, kcal/mol:	-99.46
Dipole, Da:	4.54
IP(EA), eV:	-8.84(0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(1-methylsulfonylpiperidin-4-yl)methyl]-3-(oxan-3-yl)urea

Drug info:

PubChemData

Smile

CN1C=C(C=N1)CN2CCN(CC2)C(=O)NCC3CCN(CC3)S(=O)(=O)C

DOS

IR

Vibrations