Geometry & MOs

Info

ID:	53582
PubChem CID:	14716764
Reduced:	ClO5C38H45 (1)
Stoich.:	AB5C38D45 (1)
Weight, g/mol:	636.345089
ΔH_f, kcal/mol:	-190.44
Dipole, Da:	5.91
IP(EA), eV:	-8.94(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[6-(1-oxo-1-pentoxypropan-2-yl)naphthalen-2-yl] 4-(4-decanoyloxyphenyl)benzoate

Drug info:

PubChemData

Smile

CCCCCCCCOC1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)OC3=C(C=C(C=C3)C(=O)OC[C@H](C)[C@@H]4CCC(=CC4)C)Cl

DOS

IR

Vibrations