Geometry & MOs

Info

ID:

191207

PubChem CID:

78117806

Reduced:

O2C27H36 (1)

Stoich.:

A2B27C36 (1)

Weight, g/mol:

542.258793

ΔHf, kcal/mol:

-61.94

Dipole, Da:

1.18

IP(EA), eV:

 -9.49(-1.75)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[11-(6-hydroxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl)-5-methyl-8-(2-methylpropyl)-3,6,9,13-tetraoxo-1,4,7,10-tetrazacyclotridec-2-yl]propanoic acid

Drug info:

PubChemData

Smile

CCCCCC=CCC=CCCCCCCCC1=CC(=O)C2=CC=CC=C2C1=O

DOS

IR

Vibrations