Geometry & MOs

Info

ID:

223924

PubChem CID:

85335786

Reduced:

O9N11C32H51 (1)

Stoich.:

A9B11C32D51 (1)

Weight, g/mol:

733.401224

ΔHf, kcal/mol:

-412.48

Dipole, Da:

7.31

IP(EA), eV:

 -9.05(0.04)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-butan-2-yl-10-[2-[9H-fluoren-9-ylmethoxycarbonyl(methyl)amino]propanoyloxy]-5,9,11-trimethyl-8-(2-methylsulfanylethyl)-4-oxotetradeca-5,11-dienoic acid

Drug info:

PubChemData

Smile

CC(C(=O)NC(CCCCN)C(=O)N1CCCC1C(=O)NC(CC2=CN=CN2)C(=O)N3CCCC3C(=O)NC(CCC(=O)N)C(=O)O)NC(=O)CN

DOS

IR

Vibrations