Geometry & MOs

Info

ID:

160834

PubChem CID:

57389933

Reduced:

FN5O6C24H28 (1)

Stoich.:

AB5C6D24E28 (1)

Weight, g/mol:

592.244561

ΔHf, kcal/mol:

-237.8

Dipole, Da:

5.35

IP(EA), eV:

 -9.58(-1.15)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[4-[(4-fluoro-3-methylphenyl)methylcarbamoyl]-5,6-dioxo-9-(pyridin-4-yloxymethyl)-3,7-diazatricyclo[7.2.2.02,7]tridec-2-en-1-yl]-N',N'-dimethyloxamide

Drug info:

PubChemData

Smile

CN(C)C(=O)C(=O)NC12CCC(CC1)(CN3C2=NC(C(=O)C3=O)C(=O)NCC4=CC=C(C=C4)F)CO

DOS

IR

Vibrations