Geometry & MOs

Info

ID:

160759

PubChem CID:

57389703

Reduced:

FO5N9C25H28 (1)

Stoich.:

AB5C9D25E28 (1)

Weight, g/mol:

552.224494

ΔHf, kcal/mol:

-117.41

Dipole, Da:

4.08

IP(EA), eV:

 -9.6(-1.18)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)CNC(=O)C2C(=O)C(=O)N3CC4(CCC(C3=N2)(CC4)NC(=O)C(=O)N(C)C)C5=NNN=N5)F

DOS

IR

Vibrations