Geometry & MOs

Info

ID:

218714

PubChem CID:

85089849

Reduced:

ClFO2N6C25H32 (1)

Stoich.:

ABC2D6E25F32 (1)

Weight, g/mol:

499.145401

ΔHf, kcal/mol:

-81.19

Dipole, Da:

3.0

IP(EA), eV:

 -9.2(-0.49)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2,2,2-trifluoro-N-[3-hydroxy-6-[[3-(methoxymethyl)-5,10-dioxo-3,4-dihydro-1H-benzo[g]isochromen-1-yl]oxy]-2-methyloxan-4-yl]acetamide

Drug info:

PubChemData

Smile

C1CCC(C1)NC2=NC=CC(=N2)C3C(NNC3C4=C(C=C(C=C4)Cl)F)C5CCN(CC5)C(=O)CO

DOS

IR

Vibrations