Geometry & MOs

Info

ID:

160667

PubChem CID:

57389378

Reduced:

F2N5O6C27H33 (1)

Stoich.:

A2B5C6D27E33 (1)

Weight, g/mol:

460.192212

ΔHf, kcal/mol:

-285.9

Dipole, Da:

5.09

IP(EA), eV:

 -9.62(-1.34)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[acetyl(methyl)amino]-9-fluoro-N-[(4-fluoro-3-methylphenyl)methyl]-5,6-dioxo-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(=O)N(C)CCOC)F)F

DOS

IR

Vibrations