Geometry & MOs

Info

ID:	360798
PubChem CID:	127301443
Reduced:	SN4O4C16H26 (1)
Stoich.:	AB4C4D16E26 (1)
Weight, g/mol:	336.125612
ΔH_f, kcal/mol:	-122.54
Dipole, Da:	4.72
IP(EA), eV:	-9.11(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-5-[[4-(pyridin-2-ylmethyl)piperazin-1-yl]sulfonylmethyl]-1,2-oxazole

Drug info:

PubChemData

Smile

CC1=NOC(=C1)CS(=O)(=O)N2CCN(CC2)CC(=O)N3CCCCC3

DOS

IR

Vibrations