Geometry & MOs

Info

ID:	344783
PubChem CID:	127268371
Reduced:	SN2O3C19H30 (1)
Stoich.:	AB2C3D19E30 (1)
Weight, g/mol:	343.156577
ΔH_f, kcal/mol:	-126.17
Dipole, Da:	3.96
IP(EA), eV:	-8.74(0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-methyl-3-[[4-(oxan-2-ylmethylsulfonyl)piperazin-1-yl]methyl]-1,2-oxazole

Drug info:

PubChemData

Smile

C1CCC(CC1)CS(=O)(=O)NCC2=CC=C(C=C2)CN3CCOCC3

DOS

IR

Vibrations