Geometry & MOs

Info

ID:	369800
PubChem CID:	127335751
Reduced:	SO3N4C17H26 (1)
Stoich.:	AB3C4D17E26 (1)
Weight, g/mol:	326.141262
ΔH_f, kcal/mol:	-87.1
Dipole, Da:	4.22
IP(EA), eV:	-9.23(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(oxan-4-ylsulfonyl)piperidin-4-yl]pyrimidin-2-amine

Drug info:

PubChemData

Smile

C1CC1C2=NC=CC(=N2)NC3CCN(CC3)S(=O)(=O)C4CCOCC4

DOS

IR

Vibrations