Geometry & MOs

Info

ID:	424101
PubChem CID:	135121320
Reduced:	ClSN2O5C22H35 (1)
Stoich.:	ABC2D5E22F35 (1)
Weight, g/mol:	314.199428
ΔH_f, kcal/mol:	-229.8
Dipole, Da:	7.83
IP(EA), eV:	-8.83(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-[[[(3R)-1-azabicyclo[2.2.2]octan-3-yl]amino]methyl]-5,6,7,8-tetrahydronaphthalene-1-carboxylic acid

Drug info:

PubChemData

Smile

CCCCS(=O)(=O)N[C@@H](CC1=CC(=C(C=C1)OCCCCC2CCNCC2)Cl)C(=O)O

DOS

IR

Vibrations