Geometry & MOs

Info

ID:	63263
PubChem CID:	26750408
Reduced:	SN2O4C18H28 (1)
Stoich.:	AB2C4D18E28 (1)
Weight, g/mol:	473.198442
ΔH_f, kcal/mol:	-167.43
Dipole, Da:	7.87
IP(EA), eV:	-9.1(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]-4-methoxybenzamide

Drug info:

PubChemData

Smile

CCOCC(=O)N1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(C)(C)C

DOS

IR

Vibrations