Geometry & MOs

Info

ID:

297746

PubChem CID:

117628972

Reduced:

FON5H10C12 (1)

Stoich.:

ABC5D10E12 (1)

Weight, g/mol:

814.23402

ΔHf, kcal/mol:

-6.46

Dipole, Da:

9.43

IP(EA), eV:

 -9.18(-0.81)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[4-[3-[6-[[[(2R)-2-hydroxy-2-(8-hydroxy-2-oxo-1H-quinolin-5-yl)ethyl]amino]methyl]-2-oxo-1,3-benzothiazol-3-yl]propyl-methylamino]cyclohexyl] 2-hydroxy-2,2-dithiophen-2-ylacetate;dihydrofluoride

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)CNC2=NC(=O)NC3=C2NC=N3)F

DOS

IR

Vibrations