Geometry & MOs

Info

ID:

234212

PubChem CID:

92297932

Reduced:

FSO4N6H25C27 (1)

Stoich.:

ABC4D6E25F27 (1)

Weight, g/mol:

548.164203

ΔHf, kcal/mol:

-103.9

Dipole, Da:

2.75

IP(EA), eV:

 -8.75(-1.33)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-amino-5-N-(2-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(C4=CC=CC=C4F)C(=O)C5=C(C(=NS5)C(=O)N)N

DOS

IR

Vibrations