Geometry & MOs

Info

ID:	416816
PubChem CID:	135090474
Reduced:	FSN2O4C17H25 (1)
Stoich.:	ABC2D4E17F25 (1)
Weight, g/mol:	382.156243
ΔH_f, kcal/mol:	-194.36
Dipole, Da:	6.06
IP(EA), eV:	-8.8(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3S,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-4-methoxy-3-prop-2-enylbenzamide

Drug info:

PubChemData

Smile

CN1CCC[C@]2([C@H]1CN(CC2)S(=O)(=O)C3=CC(=C(C=C3)OC)F)CO

DOS

IR

Vibrations