Geometry & MOs

Info

ID:	360760
PubChem CID:	127301405
Reduced:	SN2O3C10H16 (1)
Stoich.:	AB2C3D10E16 (1)
Weight, g/mol:	323.105211
ΔH_f, kcal/mol:	-84.83
Dipole, Da:	2.3
IP(EA), eV:	-10.22(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-5-[(4-pyrimidin-2-ylpiperazin-1-yl)sulfonylmethyl]-1,2-oxazole

Drug info:

PubChemData

Smile

CC1=NOC(=C1)CS(=O)(=O)NC2CCCC2

DOS

IR

Vibrations