Geometry & MOs

Info

ID:

449679

PubChem CID:

135300578

Reduced:

N2O3C11H14 (1)

Stoich.:

A2B3C11D14 (1)

Weight, g/mol:

2314.44063

ΔHf, kcal/mol:

-70.33

Dipole, Da:

0.38

IP(EA), eV:

-10.13(-0.36)

Spin(Sz, S2):

None, None

Charge, e:

0

Chem-info

IUPAC name:

tert-butyl 14-[[(2S)-1-[(2-methylpropan-2-yl)oxy]-5-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]oxyethylamino]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]-1,5-dioxopentan-2-yl]amino]-14-oxotetradecanoate

Drug info:

PubChemData

Smile

C=CCCC(=O)N1CC[C@H]1C(=O)OCC#N

DOS

IR

Vibrations