Geometry & MOs

Info

ID:

234209

PubChem CID:

92297926

Reduced:

FSO4N6H23C28 (1)

Stoich.:

ABC4D6E23F28 (1)

Weight, g/mol:

546.184938

ΔHf, kcal/mol:

-67.2

Dipole, Da:

3.71

IP(EA), eV:

 -8.76(-1.34)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC2=C(C=CC(=C2)[C@H](C(=O)NCC3=CC=C(C=C3)F)N(CC4=CC=CO4)C(=O)C5=C(C(=NS5)C(=O)N)N)N=C1

DOS

IR

Vibrations