Geometry & MOs

Info

ID:

160666

PubChem CID:

57389374

Reduced:

FON4H25C28 (1)

Stoich.:

ABC4D25E28 (1)

Weight, g/mol:

561.23989

ΔHf, kcal/mol:

29.2

Dipole, Da:

0.38

IP(EA), eV:

 -8.82(-1.12)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C2=CC=CC=C2)C(=O)N3C[C@@H]4[C@H]3CN(CC4)C5=CN=C6C=C(C=CC6=N5)F

DOS

IR

Vibrations