Geometry & MOs

Info

ID:

432976

PubChem CID:

135173113

Reduced:

NH7C11 (5)

Stoich.:

AB7C11 (5)

Weight, g/mol:

901.575395

ΔHf, kcal/mol:

299.82

Dipole, Da:

1.53

IP(EA), eV:

 -8.43(-1.2)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[3-[2-[2-(2,6-dichloroanilino)phenyl]acetyl]oxy-2-octadecanoyloxypropyl] octadecanoate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=NC(=NC(=N2)N3C4=CC=CC=C4C5=C3C=C(C6=CC=CC=C65)C7=CC8=C(C=C7)C(C9=CC=CC=C98)(C1=CC=CC=C1)C1=CC=CC=N1)C1=CC=CC=C1

DOS

IR

Vibrations