Geometry & MOs

Info

ID:	171912
PubChem CID:	75439953
Reduced:	SO3N4C16H22 (1)
Stoich.:	AB3C4D16E22 (1)
Weight, g/mol:	242.163043
ΔH_f, kcal/mol:	-68.4
Dipole, Da:	1.41
IP(EA), eV:	-8.73(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-3-[(5-tert-butyl-1,3-oxazol-2-yl)methyl-methylamino]propane-1,2-diol

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)NC(=O)C2=NN=C(S2)CN(C)C[C@@H](CO)O

DOS

IR

Vibrations