Geometry & MOs

Info

ID:	63262
PubChem CID:	26750407
Reduced:	SN2O5C24H26 (1)
Stoich.:	AB2C5D24E26 (1)
Weight, g/mol:	368.176979
ΔH_f, kcal/mol:	-150.47
Dipole, Da:	7.45
IP(EA), eV:	-9.17(-1.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]-2-ethoxyethanone

Drug info:

PubChemData

Smile

CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C3=CC4=CC=CC=C4OC3=O

DOS

IR

Vibrations