Geometry & MOs

Info

ID:	306371
PubChem CID:	125011476
Reduced:	SO2N3C17H21 (1)
Stoich.:	AB2C3D17E21 (1)
Weight, g/mol:	359.19574
ΔH_f, kcal/mol:	-20.35
Dipole, Da:	3.72
IP(EA), eV:	-8.65(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[(3R)-3-hydroxy-1-pyrimidin-2-ylpiperidin-3-yl]methyl]-N-methylacetamide

Drug info:

PubChemData

Smile

CC(=O)N1CCN([C@H](C1)C2=CC=CC=C2OC)CC3=CSC=N3

DOS

IR

Vibrations