Geometry & MOs

Info

ID:

160668

PubChem CID:

57389379

Reduced:

F2N4O4C23H26 (1)

Stoich.:

A2B4C4D23E26 (1)

Weight, g/mol:

509.187461

ΔHf, kcal/mol:

-218.28

Dipole, Da:

2.69

IP(EA), eV:

 -9.67(-1.24)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

9-fluoro-N-[(4-fluoro-3-methylphenyl)methyl]-5,6-dioxo-1-(pyridine-3-carbonylamino)-3,7-diazatricyclo[7.2.2.02,7]tridec-2-ene-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)CNC(=O)C2C(=O)C(=O)N3CC4(CCC(C3=N2)(CC4)N(C)C(=O)C)F)F

DOS

IR

Vibrations