Geometry & MOs

Info

ID:	417730
PubChem CID:	135102618
Reduced:	N2S2O3C17H26 (1)
Stoich.:	A2B2C3D17E26 (1)
Weight, g/mol:	325.19026
ΔH_f, kcal/mol:	-110.85
Dipole, Da:	4.75
IP(EA), eV:	-8.77(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[4-ethyl-6-(3-pyridin-4-ylazetidin-1-yl)pyrimidin-2-yl]morpholine

Drug info:

PubChemData

Smile

CN1CCC[C@]2([C@H]1CN(CC2)S(=O)(=O)C3=CC=C(C=C3)SC)CO

DOS

IR

Vibrations