Geometry & MOs

Info

ID:	188491
PubChem CID:	77723739
Reduced:	NSCl3O5C24H24 (1)
Stoich.:	ABC3D5E24F24 (1)
Weight, g/mol:	507.067399
ΔH_f, kcal/mol:	-196.88
Dipole, Da:	7.65
IP(EA), eV:	-9.52(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-chloro-4-[4-[2-[[2-(3-chlorophenyl)-2-hydroxyethyl]amino]ethyl]phenyl]sulfonylphenyl] acetate

Drug info:

PubChemData

Smile

CC(=O)OC1=C(C=C(C=C1)S(=O)(=O)C2=CC=C(C=C2)CCNCC(C3=CC(=CC=C3)Cl)O)Cl.Cl

DOS

IR

Vibrations