Geometry & MOs

Info

ID:	315513
PubChem CID:	126627296
Reduced:	FSN2O4C28H29 (1)
Stoich.:	ABC2D4E28F29 (1)
Weight, g/mol:	242.24839
ΔH_f, kcal/mol:	-169.29
Dipole, Da:	7.08
IP(EA), eV:	-8.99(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

dimethyl-(4-oxohexyl)-(2,3,3-trimethylbutan-2-yl)azanium

Drug info:

PubChemData

Smile

C[C@@H](C[C@@H](C(=O)NC(CC1=CC=C(C=C1)F)S)NC(=O)C2=CC=C(C=C2)C3=CC=CC=C3)C(=O)OC

DOS

IR

Vibrations