Geometry & MOs

Info

ID:	360748
PubChem CID:	127301393
Reduced:	SN2O4C10H16 (1)
Stoich.:	AB2C4D10E16 (1)
Weight, g/mol:	321.114713
ΔH_f, kcal/mol:	-117.6
Dipole, Da:	5.3
IP(EA), eV:	-9.97(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=NOC(=C1)CS(=O)(=O)NCC2CCCO2

DOS

IR

Vibrations