Geometry & MOs

Info

ID:

427187

PubChem CID:

135155973

Reduced:

ClN5O5C40H40 (1)

Stoich.:

AB5C5D40E40 (1)

Weight, g/mol:

405.090703

ΔHf, kcal/mol:

-66.16

Dipole, Da:

8.63

IP(EA), eV:

 -8.98(-1.46)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-ethoxy-5-fluoro-N-(9-oxa-5,6,11-triazatricyclo[8.4.0.02,6]tetradeca-1(10),2,4,11,13-pentaen-13-yl)pyridine-3-sulfonamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1C2=CC3=C(C=C2)OC(=N3)C4CCN(C4)C)COC5=C(C=C(C(=C5)OCC6=CC(=CN=C6)C#N)CN7CCCCC7C(=O)O)Cl

DOS

IR

Vibrations