Geometry & MOs

Info

ID:	53564
PubChem CID:	14716666
Reduced:	ClO5C32H37 (1)
Stoich.:	AB5C32D37 (1)
Weight, g/mol:	578.279902
ΔH_f, kcal/mol:	-194.95
Dipole, Da:	6.83
IP(EA), eV:	-9.14(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[4-[1-[(2S,3S)-2-chloro-3-methylpentanoyl]oxyethyl]phenyl]phenyl] 4-octoxybenzoate

Drug info:

PubChemData

Smile

CCCCCCCCOC1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)C3=CC=C(C=C3)C(C)OC(=O)[C@H](C)Cl

DOS

IR

Vibrations