Geometry & MOs

Info

ID:	226353
PubChem CID:	87350572
Reduced:	SO12C21H26 (1)
Stoich.:	AB12C21D26 (1)
Weight, g/mol:	229.10002
ΔH_f, kcal/mol:	-495.47
Dipole, Da:	3.79
IP(EA), eV:	-10.08(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5-chloro-4-hydroxypentan-2-yl)-diethylazanium;chloride

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)C([C@H]([C@H]([C@@H]([C@H](C=O)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)O

DOS

IR

Vibrations