Geometry & MOs

Info

ID:	38267
PubChem CID:	8028592
Reduced:	N2S2O5C18H20 (1)
Stoich.:	A2B2C5D18E20 (1)
Weight, g/mol:	401.244033
ΔH_f, kcal/mol:	-161.13
Dipole, Da:	8.23
IP(EA), eV:	-9.73(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

(2R)-2-(4,8-dimethyl-2-oxochromen-7-yl)oxy-N-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)propanamide

Drug info:

PubChemData

Smile

CC(=O)C1=CC(=CC=C1)N2[C@H]3CS(=O)(=O)C[C@H]3SC2=NC(=O)[C@@H]4CCCO4

DOS

IR

Vibrations