Geometry & MOs

Info

ID:

234206

PubChem CID:

92297921

Reduced:

FO4N6H27C28 (1)

Stoich.:

AB4C6D27E28 (1)

Weight, g/mol:

548.164203

ΔHf, kcal/mol:

-59.8

Dipole, Da:

3.37

IP(EA), eV:

 -8.74(-1.04)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1C[C@H](OC1)CN2C(=NN=N2)[C@H](C3=CC4=CC5=C(C=C4NC3=O)OCO5)N6CCC(=CC6)C7=CC=C(C=C7)F

DOS

IR

Vibrations