Geometry & MOs

Info

ID:	219060
PubChem CID:	85090422
Reduced:	O4H36C37 (1)
Stoich.:	A4B36C37 (1)
Weight, g/mol:	544.270604
ΔH_f, kcal/mol:	-79.75
Dipole, Da:	4.58
IP(EA), eV:	-8.85(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3-hydroxypropylsulfanyl)-1,6,15,20-tetraoxacyclooctacos-17-ene-2,5,16,19-tetrone

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)OCC(C(CCCCC4=CC=CC5=CC=CC=C54)O)C(=O)O

DOS

IR

Vibrations