Geometry & MOs

Info

ID:

234199

PubChem CID:

92297910

Reduced:

FSO4N6H27C28 (1)

Stoich.:

ABC4D6E27F28 (1)

Weight, g/mol:

548.164203

ΔHf, kcal/mol:

-107.61

Dipole, Da:

6.34

IP(EA), eV:

 -8.6(-1.18)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1C[C@@H](OC1)CNC(=O)[C@H](C2=CC3=C(C=C2)N=CC=C3)N(CC4=CC=C(C=C4)F)C(=O)C5=C(C(=NS5)C(=O)N)N

DOS

IR

Vibrations