Geometry & MOs

Info

ID:

1139

PubChem CID:

3844

Reduced:

N3O5H31C32 (1)

Stoich.:

A3B5C31D32 (1)

Weight, g/mol:

537.226371

ΔHf, kcal/mol:

-145.42

Dipole, Da:

7.93

IP(EA), eV:

 -8.1(-0.86)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

hexyl 16-hydroxy-15-methyl-3-oxo-28-oxa-4,14,19-triazaoctacyclo[12.11.2.115,18.02,6.07,27.08,13.019,26.020,25]octacosa-1,6,8,10,12,20,22,24,26-nonaene-16-carboxylate

Drug info:

PubChemData

Smile

CCCCCCOC(=O)C1(CC2N3C4=CC=CC=C4C5=C6C(=C7C8=CC=CC=C8N(C7=C53)C1(O2)C)CNC6=O)O

DOS

IR

Vibrations