Geometry & MOs

Info

ID:

439518

PubChem CID:

135229293

Reduced:

N2O5C57H112 (2)

Stoich.:

A2B5C57D112 (2)

Weight, g/mol:

1614.523655

ΔHf, kcal/mol:

-915.02

Dipole, Da:

10.53

IP(EA), eV:

 -8.86(0.88)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-O-[9-[9-(2-butyloctanoyloxy)nonyl-(4-hydroxybutyl)amino]nonyl] 8-O-[6-[4-hydroxybutyl-[6-(2-octyldodecanoyloxy)hexyl]amino]hexyl] 7-decyl-4-ethyl-2,5-dihexyloctanedioate

Drug info:

PubChemData

Smile

CCCCCCCC(=O)N(CCCN(C)C)C(CCCCCCCCCOC(=O)C(CCCC)CCCCCC)CCCCCCCCCOC(=O)C(CCCCCC)CC(CC)C(CCCC)CC(CCCCCC)C(O)OCCCCCCCCC(CCCCCCCCOC(=O)C(CCCCCC)CCCCCC)N(CCCN(C)C)C(=O)CCCCCCC

DOS

IR

Vibrations