Geometry & MOs

Info

ID:	380874
PubChem CID:	134971453
Reduced:	SN2O2H12C22 (1)
Stoich.:	AB2C2D12E22 (1)
Weight, g/mol:	365.171262
ΔH_f, kcal/mol:	76.1
Dipole, Da:	9.26
IP(EA), eV:	-9.14(-2.17)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

dimethyl 2-(4-aza-1-azoniabicyclo[2.2.2]octan-1-yl)-2-(2-hydroxyphenoxy)butanedioate

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C=CC3=C2C4=C(C=CC5=CC=CC=C54)C6=NS(=O)(=O)N=C36

DOS

IR

Vibrations