Geometry & MOs

Info

ID:	344996
PubChem CID:	127268756
Reduced:	SO3N4C14H24 (1)
Stoich.:	AB3C4D14E24 (1)
Weight, g/mol:	387.219178
ΔH_f, kcal/mol:	-108.41
Dipole, Da:	5.65
IP(EA), eV:	-9.5(0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-cyclohexyl-3-[1-(oxan-2-ylmethylsulfonyl)piperidin-4-yl]urea

Drug info:

PubChemData

Smile

C[C@H](C1=NN=C2N1CCCCC2)NS(=O)(=O)CC3CCCO3

DOS

IR

Vibrations