Geometry & MOs

Info

ID:	63233
PubChem CID:	26750232
Reduced:	ClSN2O5C18H21 (1)
Stoich.:	ABC2D5E18F21 (1)
Weight, g/mol:	444.208279
ΔH_f, kcal/mol:	-166.25
Dipole, Da:	7.71
IP(EA), eV:	-9.59(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]-3-(2-methoxyphenyl)propan-1-one

Drug info:

PubChemData

Smile

C[C@H](COC)NS(=O)(=O)C1=CC=C(C=C1)NC(=O)COC2=CC=CC=C2Cl

DOS

IR

Vibrations