Geometry & MOs

Info

ID:	358242
PubChem CID:	127295787
Reduced:	SO3N4C16H30 (1)
Stoich.:	AB3C4D16E30 (1)
Weight, g/mol:	333.172228
ΔH_f, kcal/mol:	-152.89
Dipole, Da:	5.02
IP(EA), eV:	-8.8(0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methyl-3-(1-methylsulfonylpiperidin-3-yl)-1-(oxan-3-ylmethyl)urea

Drug info:

PubChemData

Smile

CS(=O)(=O)N1CCCC(C1)NC(=O)N2CCC(C2)N3CCCCC3

DOS

IR

Vibrations