Geometry & MOs

Info

ID:	243919
PubChem CID:	99300601
Reduced:	ClSN3O6C20H22 (1)
Stoich.:	ABC3D6E20F22 (1)
Weight, g/mol:	480.171893
ΔH_f, kcal/mol:	-118.93
Dipole, Da:	9.33
IP(EA), eV:	-8.78(-1.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]-(4-methoxy-3-phenylphenyl)methanone

Drug info:

PubChemData

Smile

C1CN(CCN1C(=O)CCCOC2=CC=CC=C2Cl)S(=O)(=O)C3=CC=CC=C3[N+](=O)[O-]

DOS

IR

Vibrations