Geometry & MOs

Info

ID:

299482

PubChem CID:

117683308

Reduced:

O14H58C63 (1)

Stoich.:

A14B58C63 (1)

Weight, g/mol:

1186.519604

ΔHf, kcal/mol:

-474.87

Dipole, Da:

9.18

IP(EA), eV:

 -9.48(-0.49)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[1-[2-[2-(hydroxymethyl)-4,6-dimethoxybenzoyl]oxy-2-[[2-[2-(hydroxymethyl)-4,6-dimethoxybenzoyl]oxy-2-[[2-(hydroxymethyl)-2-[2-(hydroxymethyl)-4,6-dimethoxybenzoyl]oxybutoxy]methyl]butoxy]methyl]butoxy]-2-methylbutan-2-yl] 2-(hydroxymethyl)-4,6-dimethoxybenzoate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C(=O)OCC(C(C(C(C(COC(=O)C2=CC=C(C=C2)C)OC(=O)C3=CC=C(C=C3)C)OC(=O)C4=CC=C(C=C4)C)OC(=O)C5=CC=C(C=C5)C)OC(=O)C6=CC=C(C=C6)C)OC(=O)C7=CC=C(C=C7)C

DOS

IR

Vibrations