Geometry & MOs

Info

ID:	344683
PubChem CID:	127268271
Reduced:	SN2O2C6H8 (2)
Stoich.:	AB2C2D6E8 (2)
Weight, g/mol:	261.139865
ΔH_f, kcal/mol:	-104.56
Dipole, Da:	5.81
IP(EA), eV:	-9.7(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-1-(oxan-2-ylmethylsulfonyl)piperidine

Drug info:

PubChemData

Smile

CC1=NN(C2=C1C=C(C=N2)S(=O)(=O)NC3CCS(=O)(=O)C3)C

DOS

IR

Vibrations