Geometry & MOs

Info

ID:	188243
PubChem CID:	77687853
Reduced:	OC4H4 (5)
Stoich.:	AB4C4 (5)
Weight, g/mol:	768.186135
ΔH_f, kcal/mol:	-147.77
Dipole, Da:	1.33
IP(EA), eV:	-9.09(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[1-[2-(3-chlorophenyl)sulfanylphenoxy]butan-2-yl-ethylamino]-4-[3-[2-(4-chlorophenyl)sulfanylphenoxy]pyrrolidin-1-yl]pentanedioic acid

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C=C2C(C(C(O2)C(C(=CC3=CC=CC=C3)O)O)O)O

DOS

IR

Vibrations