Geometry & MOs

Info

ID:	59764
PubChem CID:	24896226
Reduced:	SN6O6C27H36 (1)
Stoich.:	AB6C6D27E36 (1)
Weight, g/mol:	589.142342
ΔH_f, kcal/mol:	-161.05
Dipole, Da:	13.32
IP(EA), eV:	-8.81(-1.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[N-(5-fluoro-4-pyridin-3-yl-1,3-thiazol-2-yl)-4-octyl-3-(trifluoromethyl)anilino]-2-oxoethyl] dihydrogen phosphate

Drug info:

PubChemData

Smile

CCCC1=NC(=C2N1NC(=NC2=O)C3=C(C=CC(=C3)S(=O)(=O)N4CCN(CC4)CC(=O)C5CCCO5)OCC)C

DOS

IR

Vibrations