Geometry & MOs

Info

ID:	140562
PubChem CID:	52719583
Reduced:	SN2O4C23H36 (1)
Stoich.:	AB2C4D23E36 (1)
Weight, g/mol:	417.160994
ΔH_f, kcal/mol:	-193.73
Dipole, Da:	9.04
IP(EA), eV:	-8.84(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(4-ethoxypiperidine-1-carbonyl)phenyl] 2,5-dimethylbenzenesulfonate

Drug info:

PubChemData

Smile

CCOC1CCN(CC1)C(=O)C2CCN(CC2)S(=O)(=O)C3=C(C(=CC(=C3C)C)C)C

DOS

IR

Vibrations