Geometry & MOs

Info

ID:

449213

PubChem CID:

135296888

Reduced:

ClO2F3N6H24C27 (1)

Stoich.:

AB2C3D6E24F27 (1)

Weight, g/mol:

569.144152

ΔHf, kcal/mol:

-125.93

Dipole, Da:

4.08

IP(EA), eV:

 -8.79(-1.01)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[4-[5-[3-chloro-4-[[(1S)-2,2-difluoro-1-(2-fluorophenyl)ethyl]amino]quinolin-6-yl]pyridin-2-yl]-2-oxopiperazin-1-yl]acetic acid

Drug info:

PubChemData

Smile

C1CN(CCC1(N)OC=O)C2=NC=C(C=N2)C3=CC4=C(C(=CN=C4C=C3)Cl)N[C@@H](C5=CC=CC=C5F)C(F)F

DOS

IR

Vibrations