Geometry & MOs

Info

ID:	347815
PubChem CID:	127272877
Reduced:	FSN2O2C12H17 (1)
Stoich.:	ABC2D2E12F17 (1)
Weight, g/mol:	275.155515
ΔH_f, kcal/mol:	-113.61
Dipole, Da:	4.26
IP(EA), eV:	-9.79(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4,4-dimethyl-1-(oxan-2-ylmethylsulfonyl)piperidine

Drug info:

PubChemData

Smile

CC1(CCN(CC1)S(=O)(=O)C2=CN=CC(=C2)F)C

DOS

IR

Vibrations