Geometry & MOs

Info

ID:	204415
PubChem CID:	79962061
Reduced:	SN2O4C14H22 (1)
Stoich.:	AB2C4D14E22 (1)
Weight, g/mol:	281.111936
ΔH_f, kcal/mol:	-156.64
Dipole, Da:	7.91
IP(EA), eV:	-8.54(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methylsulfonyl-1-(1,4-oxathian-2-yl)-N-propylpropan-1-amine

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1N)S(=O)(=O)NCCC2CCCO2)OC

DOS

IR

Vibrations