Geometry & MOs

Info

ID:

187469

PubChem CID:

77575511

Reduced:

Cl2F3O3N5C31H32 (1)

Stoich.:

A2B3C3D5E31F32 (1)

Weight, g/mol:

525.255833

ΔHf, kcal/mol:

-232.67

Dipole, Da:

5.59

IP(EA), eV:

 -9.24(-1.33)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-chloro-9-[2-(diethylamino)ethyl]-19-(2-fluorocyclohexyl)-9,12-diazatetracyclo[10.7.0.02,7.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-15-carboxylic acid

Drug info:

PubChemData

Smile

CC(=O)N1CCC(CC1)C(=O)N2CCC(C(C2)C3=CC(=C(C=C3)Cl)Cl)N(C)C(=O)C4=NC=CN4C5=CC=CC=C5C(F)(F)F

DOS

IR

Vibrations