Geometry & MOs

Info

ID:	329877
PubChem CID:	127246744
Reduced:	SO2N3C16H25 (1)
Stoich.:	AB2C3D16E25 (1)
Weight, g/mol:	314.174276
ΔH_f, kcal/mol:	-76.12
Dipole, Da:	2.43
IP(EA), eV:	-8.69(0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[2-[2-(methylamino)pyridin-4-yl]pyrrolidin-1-yl]ethanone

Drug info:

PubChemData

Smile

CNC1=NC=CC(=C1)C2CCCN2S(=O)(=O)C3CCCCC3

DOS

IR

Vibrations