Geometry & MOs

Info

ID:	368766
PubChem CID:	127330067
Reduced:	SN2O5C18H26 (1)
Stoich.:	AB2C5D18E26 (1)
Weight, g/mol:	366.134635
ΔH_f, kcal/mol:	-190.41
Dipole, Da:	4.01
IP(EA), eV:	-9.34(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-(4-chlorobenzoyl)piperazin-1-yl]-2-(oxolan-3-ylmethoxy)ethanone

Drug info:

PubChemData

Smile

C1COCC1COCC(=O)N2CCN(CC2)S(=O)(=O)CC3=CC=CC=C3

DOS

IR

Vibrations