Geometry & MOs

Info

ID:	221537
PubChem CID:	85279106
Reduced:	NO6C56H79 (1)
Stoich.:	AB6C56D79 (1)
Weight, g/mol:	870.549328
ΔH_f, kcal/mol:	-279.91
Dipole, Da:	4.08
IP(EA), eV:	-8.71(-0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

bis[3-hydroxy-2-[4-(4-methylphenoxy)butanoyloxy]propyl] docosanedioate

Drug info:

PubChemData

Smile

CCC(CCC(C)C1CCC2C1(CCC3C2CCC4C3(CCC(C4)OC(=O)N5CC(CC5COC(C6=CC=CC=C6)(C7=CC=C(C=C7)OC)C8=CC=C(C=C8)OC)O)C)C)C(C)C

DOS

IR

Vibrations