Geometry & MOs

Info

ID:	136028
PubChem CID:	51968354
Reduced:	FN2O3C18H25 (1)
Stoich.:	AB2C3D18E25 (1)
Weight, g/mol:	353.189889
ΔH_f, kcal/mol:	-182.89
Dipole, Da:	4.31
IP(EA), eV:	-9.32(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

dimethyl-[1-[[[4-(methylsulfonylmethyl)benzoyl]amino]methyl]cyclohexyl]azanium

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)N(C)CC2=CC=CC=C2F

DOS

IR

Vibrations