Geometry & MOs

Info

ID:

449676

PubChem CID:

135300558

Reduced:

FON7H28C30 (1)

Stoich.:

ABC7D28E30 (1)

Weight, g/mol:

2167.314701

ΔHf, kcal/mol:

88.88

Dipole, Da:

8.67

IP(EA), eV:

-8.72(-2.17)

Spin(Sz, S2):

None, None

Charge, e:

0

Chem-info

IUPAC name:

tert-butyl (2S)-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-(2,5-dioxopyrrolidin-1-yl)oxy-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]-5-oxo-2-(tetradecanoylamino)pentanoate

Drug info:

PubChemData

Smile

CC(C)(C)CC(NC1=CN=CC(=C1)C2=NC=C3C(=C2)/C(=C/4\C=C5C(=CN=CC5=N4)C6=CC=C(C=C6)F)/NN3)O

DOS

IR

Vibrations