Geometry & MOs

Info

ID:	408719
PubChem CID:	135081487
Reduced:	LiNH22C24 (1)
Stoich.:	ABC22D24 (1)
Weight, g/mol:	296.119464
ΔH_f, kcal/mol:	141.87
Dipole, Da:	11.74
IP(EA), eV:	-6.53(0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-[1-hydroxy-2-(methylamino)ethyl]-4-[(2-methylpropan-2-yl)oxy]-3H-1,3-benzothiazol-2-one

Drug info:

PubChemData

Smile

[Li+].C[C@@H](C1=CC=CC2=CC=CC=C21)[N-][C@@H](C)C3=CC=CC4=CC=CC=C43

DOS

IR

Vibrations