Geometry & MOs

Info

ID:

234208

PubChem CID:

92297923

Reduced:

FSO4N6H27C28 (1)

Stoich.:

ABC4D6E27F28 (1)

Weight, g/mol:

558.148553

ΔHf, kcal/mol:

-109.05

Dipole, Da:

3.3

IP(EA), eV:

 -8.92(-1.39)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-amino-5-N-[(1R)-2-[(4-fluorophenyl)methylamino]-2-oxo-1-quinolin-6-ylethyl]-5-N-(furan-2-ylmethyl)-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