Geometry & MOs

Info

ID:	48137
PubChem CID:	10537378
Reduced:	NSO3C10H15 (1)
Stoich.:	ABC3D10E15 (1)
Weight, g/mol:	229.123342
ΔH_f, kcal/mol:	-122.92
Dipole, Da:	5.42
IP(EA), eV:	-9.41(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S)-3-(2,6-dimethylphenoxy)-2-methylpropyl]azanium;chloride

Drug info:

PubChemData

Smile

CCOC(=O)[C@@H]1CSC(=O)N1CCC=C

DOS

IR

Vibrations