Geometry & MOs

Info

ID:	60373
PubChem CID:	26683941
Reduced:	SN3O4C23H29 (1)
Stoich.:	AB3C4D23E29 (1)
Weight, g/mol:	484.062648
ΔH_f, kcal/mol:	-127.23
Dipole, Da:	2.64
IP(EA), eV:	-9.18(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-chloro-5-methylphenyl) 4-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-4-oxobutanoate

Drug info:

PubChemData

Smile

C[C@@H](C1=CC=CC=C1)N(C)C(=O)CCC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3

DOS

IR

Vibrations