Geometry & MOs

Info

ID:	53563
PubChem CID:	14716662
Reduced:	OC12H16 (3)
Stoich.:	AB12C16 (3)
Weight, g/mol:	536.232952
ΔH_f, kcal/mol:	-122.06
Dipole, Da:	6.94
IP(EA), eV:	-9.03(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[4-[1-[(2S)-2-chloropropanoyl]oxyethyl]phenyl]phenyl] 4-octoxybenzoate

Drug info:

PubChemData

Smile

CCCCCCCCC1=CC=C(C=C1)C2=CC=C(C=C2)COC3=CC=C(C=C3)C(=O)C(C)CC(C)OCCC

DOS

IR

Vibrations