Geometry & MOs

Info

ID:

439492

PubChem CID:

135229266

Reduced:

N4H26C33 (1)

Stoich.:

A4B26C33 (1)

Weight, g/mol:

1355.239268

ΔHf, kcal/mol:

233.72

Dipole, Da:

3.38

IP(EA), eV:

 -8.46(-0.96)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(4-tert-butylcyclohexyl) 10-[[10-[4-[7-[8-[(8-decan-5-yloxy-8-oxooctyl)-[2-(dimethylamino)ethyl]amino]octanoyloxy]-2,4-dimethyldodecan-2-yl]cyclohexyl]oxy-10-oxodecyl]-[2-(dimethylamino)ethyl]amino]decanoate

Drug info:

PubChemData

Smile

CC=NC1=C(CC=CC2=C1N=C(C=C2)C/C=C(\C=C/C#C)/C3=NC4=C(C=CC5=C4N=CC=C5)C=C3)C=C

DOS

IR

Vibrations