Geometry & MOs

Info

ID:	296498
PubChem CID:	117579671
Reduced:	SO2N3C10H17 (1)
Stoich.:	AB2C3D10E17 (1)
Weight, g/mol:	222.100442
ΔH_f, kcal/mol:	-68.86
Dipole, Da:	3.77
IP(EA), eV:	-8.76(0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2-methyl-1,3-benzoxazol-5-yl)amino]propane-1,3-diol

Drug info:

PubChemData

Smile

C1CC(CNC1)CS(=O)(=O)NC2=CC=CN2

DOS

IR

Vibrations