Geometry & MOs

Info

ID:	64210
PubChem CID:	29198496
Reduced:	SN3O4C24H31 (1)
Stoich.:	AB3C4D24E31 (1)
Weight, g/mol:	457.203528
ΔH_f, kcal/mol:	-91.94
Dipole, Da:	4.02
IP(EA), eV:	-8.21(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3,4-dimethoxyphenyl)methylsulfonyl-[(2R)-2-(1H-indol-3-yl)-2-piperidin-1-ium-1-ylethyl]azanide

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)CS(=O)(=O)[N-]C[C@H](C2=CNC3=CC=CC=C32)[NH+]4CCCCC4)OC

DOS

IR

Vibrations