Geometry & MOs

Info

ID:	388972
PubChem CID:	134990782
Reduced:	ClS2N3O5C10H10 (1)
Stoich.:	AB2C3D5E10F10 (1)
Weight, g/mol:	704.334267
ΔH_f, kcal/mol:	-161.8
Dipole, Da:	4.28
IP(EA), eV:	-10.46(-1.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1S,5R)-8,8-dimethyl-8-azoniabicyclo[3.2.1]octan-3-yl] 3-hydroxy-2-phenylpropanoate;sulfate

Drug info:

PubChemData

Smile

C=CCN1C(=O)NC2=CC(=C(C=C2S1(=O)=O)S(=O)(=O)N)Cl

DOS

IR

Vibrations