Geometry & MOs

Info

ID:

448328

PubChem CID:

135290160

Reduced:

BrClNO5C23H27 (1)

Stoich.:

ABCD5E23F27 (1)

Weight, g/mol:

448.248047

ΔHf, kcal/mol:

-198.46

Dipole, Da:

9.72

IP(EA), eV:

 -9.05(-0.76)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

9-(1,1,2,2,3,3-hexadeuterio-3-methoxypropoxy)-5-(methoxymethyl)-3,3-dimethyl-15-oxo-1,2-diazatetracyclo[11.4.0.02,6.07,12]heptadeca-7(12),8,10,13,16-pentaene-16-carboxylic acid

Drug info:

PubChemData

Smile

CC1(CCC(C1N2C=CC(=O)C(=C2)C(=O)O)C3=CC(=C(C=C3Br)Cl)OCCCOC)C

DOS

IR

Vibrations