Geometry & MOs

Info

ID:

220649

PubChem CID:

85201029

Reduced:

N2O5C29H30 (1)

Stoich.:

A2B5C29D30 (1)

Weight, g/mol:

486.298139

ΔHf, kcal/mol:

-160.24

Dipole, Da:

3.9

IP(EA), eV:

 -8.81(-0.36)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

6,7,18-trihydroxy-16-methyl-15-(6-methyl-5-methylideneheptan-2-yl)-4-oxopentacyclo[9.7.0.01,3.03,8.012,16]octadec-10-ene-7-carboxylic acid

Drug info:

PubChemData

Smile

CC(C(=O)NC(C)(C)C(=O)OCC1=CC=CC=C1)NC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24

DOS

IR

Vibrations