Geometry & MOs

Info

ID:	333846
PubChem CID:	127252398
Reduced:	SO2N5C13H19 (1)
Stoich.:	AB2C5D13E19 (1)
Weight, g/mol:	288.158626
ΔH_f, kcal/mol:	-16.33
Dipole, Da:	9.56
IP(EA), eV:	-9.27(-0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(2-methyl-1,3-oxazol-4-yl)methyl]-6-(pyrimidin-2-ylmethyl)-1,4-oxazepane

Drug info:

PubChemData

Smile

CC1(CCCN(C1)S(=O)(=O)C2=CN(C=N2)C)C3=CC=NN3

DOS

IR

Vibrations