Geometry & MOs

Info

ID:	360772
PubChem CID:	127301417
Reduced:	SN2O5C15H18 (1)
Stoich.:	AB2C5D15E18 (1)
Weight, g/mol:	343.120192
ΔH_f, kcal/mol:	-115.8
Dipole, Da:	3.74
IP(EA), eV:	-8.84(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[(3-methyl-1,2-oxazol-5-yl)methylsulfonyl]piperazin-1-yl]-(oxolan-2-yl)methanone

Drug info:

PubChemData

Smile

CC1=NOC(=C1)CS(=O)(=O)N(C)CC2COC3=CC=CC=C3O2

DOS

IR

Vibrations