Geometry & MOs

Info

ID:

234161

PubChem CID:

92297844

Reduced:

FSO4N6H25C27 (1)

Stoich.:

ABC4D6E25F27 (1)

Weight, g/mol:

532.169288

ΔHf, kcal/mol:

-103.71

Dipole, Da:

6.34

IP(EA), eV:

 -8.76(-1.34)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-amino-5-N-[(1R)-2-(cyclopentylamino)-2-oxo-1-quinolin-6-ylethyl]-5-N-(3-fluorophenyl)-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=C4)F)C(=O)C5=C(C(=NS5)C(=O)N)N

DOS

IR

Vibrations