Geometry & MOs

Info

ID:	23976
PubChem CID:	607285
Reduced:	O8C29H38 (1)
Stoich.:	A8B29C38 (1)
Weight, g/mol:	514.256668
ΔH_f, kcal/mol:	-336.33
Dipole, Da:	4.71
IP(EA), eV:	-9.09(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[2-hydroxy-4-methoxy-6-(2-oxoheptyl)benzoyl]oxy-2-methoxy-6-pentylbenzoate

Drug info:

PubChemData

Smile

CCCCCC1=C(C(=CC(=C1)OC(=O)C2=C(C=C(C=C2O)OC)CC(=O)CCCCC)OC)C(=O)OC

DOS

IR

Vibrations