Geometry & MOs

Info

ID:	344750
PubChem CID:	127268338
Reduced:	NSO5C19H21 (1)
Stoich.:	ABC5D19E21 (1)
Weight, g/mol:	360.171893
ΔH_f, kcal/mol:	-146.56
Dipole, Da:	6.79
IP(EA), eV:	-8.84(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

morpholin-4-yl-[1-(oxan-2-ylmethylsulfonyl)piperidin-4-yl]methanone

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C2CCCN2S(=O)(=O)C3=CC=CC4=C3OCCO4

DOS

IR

Vibrations