Geometry & MOs

Info

ID:	150187
PubChem CID:	53789874
Reduced:	N4O4C23H24 (1)
Stoich.:	A4B4C23D24 (1)
Weight, g/mol:	538.184767
ΔH_f, kcal/mol:	-97.27
Dipole, Da:	4.09
IP(EA), eV:	-9.49(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[4-[3-(4-acetyl-3-hydroxy-2-propylphenoxy)propylsulfanyl]phenyl]-4-phenylsulfanylbutanoic acid

Drug info:

PubChemData

Smile

C[C@@H](C(=O)N[C@@H](C)C(=O)N(C1=CC2=C(C=C1)N=CC=C2)C(=O)OCC3=CC=CC=C3)N

DOS

IR

Vibrations