Geometry & MOs

Info

ID:

323139

PubChem CID:

126672863

Reduced:

O3N4H18C21 (1)

Stoich.:

A3B4C18D21 (1)

Weight, g/mol:

1028.680008

ΔHf, kcal/mol:

34.26

Dipole, Da:

6.21

IP(EA), eV:

 -7.81(-1.79)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5,5-di(hexadecanoyloxy)-3-[2-[[(E)-6-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1H-2-benzofuran-5-yl)-4-methylhex-4-enoyl]oxymethoxy]-2-oxoethyl]-3,4-dimethylpentanoic acid

Drug info:

PubChemData

Smile

CC(=O)NC1=CC=C(C=C1)C2=CC=C3N=C/C(=C\4/C=CC(=O)C(=C4)OC)/N3N2

DOS

IR

Vibrations