Geometry & MOs

Info

ID:	348004
PubChem CID:	127273066
Reduced:	SO3N4C19H26 (1)
Stoich.:	AB3C4D19E26 (1)
Weight, g/mol:	335.130363
ΔH_f, kcal/mol:	-66.99
Dipole, Da:	8.08
IP(EA), eV:	-8.75(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-(1,3-benzoxazol-2-ylmethyl)piperazin-1-yl]thiolane 1,1-dioxide

Drug info:

PubChemData

Smile

C1CS(=O)(=O)CC1N2CCN(CC2)CC(=O)N3CCC(=N3)C4=CC=CC=C4

DOS

IR

Vibrations