Geometry & MOs

Info

ID:	229158
PubChem CID:	87567078
Reduced:	PSF2N2O6C23H31 (1)
Stoich.:	ABC2D2E6F23G31 (1)
Weight, g/mol:	285.103479
ΔH_f, kcal/mol:	-390.43
Dipole, Da:	5.82
IP(EA), eV:	-9.4(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methylbenzenesulfonate;1-methylpiperidin-1-ium-4-one

Drug info:

PubChemData

Smile

CC(C)S(=O)(=O)N[C@@H](CC1=CC=C(C=C1)OP(=O)(C(F)F)O)C(=O)NCCCCC2=CC=CC=C2

DOS

IR

Vibrations