Geometry & MOs

Info

ID:

436530

PubChem CID:

135204988

Reduced:

SO3N6C19H20 (1)

Stoich.:

AB3C6D19E20 (1)

Weight, g/mol:

463.174336

ΔHf, kcal/mol:

27.83

Dipole, Da:

4.85

IP(EA), eV:

 -9.58(-1.26)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

16-amino-14-butyl-5-ethyl-5-hydroxy-7,18,20-trioxa-11,24-diazahexacyclo[11.11.0.02,11.04,9.015,23.017,21]tetracosa-1(24),2,4(9),13,15,17(21),22-heptaene-6,10-dione

Drug info:

PubChemData

Smile

CN(C1=NC(=CS1)C2=C(C=CC(=N2)C#N)OCCOC)C(=O)C3CCCN3C#N

DOS

IR

Vibrations