Geometry & MOs

Info

ID:	344729
PubChem CID:	127268317
Reduced:	SN2O6C17H22 (1)
Stoich.:	AB2C6D17E22 (1)
Weight, g/mol:	386.097014
ΔH_f, kcal/mol:	-212.9
Dipole, Da:	4.31
IP(EA), eV:	-8.99(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(1,1-dioxothian-4-yl)sulfonylpiperazin-1-yl]-phenylmethanone

Drug info:

PubChemData

Smile

C1CC(OC1)C(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC4=C3OCCO4

DOS

IR

Vibrations