Geometry & MOs

Info

ID:

448360

PubChem CID:

135290368

Reduced:

ClF2O3N4H19C22 (1)

Stoich.:

AB2C3D4E19F22 (1)

Weight, g/mol:

476.161722

ΔHf, kcal/mol:

-142.12

Dipole, Da:

12.14

IP(EA), eV:

 -9.61(-1.67)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(6R)-9-(3-methoxypropoxy)-3,3-dimethyl-10-methylsulfonyl-15-oxo-1,2-diazatetracyclo[11.4.0.02,6.07,12]heptadeca-7,9,11,13,16-pentaene-16-carboxylic acid

Drug info:

PubChemData

Smile

CC1(CC(C2N1N3C=C(C(=O)C=C3C4=C2C=C(C=C4)C5=CN(N=C5)C(F)F)C(=O)O)Cl)C

DOS

IR

Vibrations