Geometry & MOs

Info

ID:

234211

PubChem CID:

92297931

Reduced:

F2O2N7H27C28 (1)

Stoich.:

A2B2C7D27E28 (1)

Weight, g/mol:

548.164203

ΔHf, kcal/mol:

-24.52

Dipole, Da:

6.79

IP(EA), eV:

 -9.57(-0.92)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-amino-5-N-(2-fluorophenyl)-5-N-[(1S)-2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]-1-quinolin-6-ylethyl]-1,2-thiazole-3,5-dicarboxamide

Drug info:

PubChemData

Smile

C1CCC(C1)NC(=O)[C@@H](C2=CC=NC=C2)N(CC3=CC=CC=C3F)C(=O)CN4N=C(N=N4)C5=CC=C(C=C5)F

DOS

IR

Vibrations