Geometry & MOs

Info

ID:	13414
PubChem CID:	230385
Reduced:	S3O8C40H42 (1)
Stoich.:	A3B8C40D42 (1)
Weight, g/mol:	746.204182
ΔH_f, kcal/mol:	-249.69
Dipole, Da:	4.89
IP(EA), eV:	-8.14(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2,3,4-tribenzoyloxy-5,6,6-tris(ethylsulfanyl)hexyl] benzoate

Drug info:

PubChemData

Smile

CCSC(C(C(C(COC(=O)C1=CC=CC=C1)OC(=O)C2=CC=CC=C2)OC(=O)C3=CC=CC=C3)OC(=O)C4=CC=CC=C4)C(SCC)SCC

DOS

IR

Vibrations