Geometry & MOs

Info

ID:

313309

PubChem CID:

126613678

Reduced:

NH7C9 (3)

Stoich.:

AB7C9 (3)

Weight, g/mol:

796.512549

ΔHf, kcal/mol:

135.1

Dipole, Da:

1.91

IP(EA), eV:

 -8.19(-0.59)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[2-[3-[3-[2-(3-tert-butyl-4-hydroxy-5-methylphenyl)propanoyloxymethyl]pentan-3-yl]-2,4,8,10-tetraoxaspiro[5.5]undecan-9-yl]-2-ethylbutyl] 2-(3-tert-butyl-4-hydroxy-5-methylphenyl)propanoate

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C=CC=C2NC3=CC=CC(=N3)CC=NC4=CC=CC5=CC=CC=C54

DOS

IR

Vibrations