Geometry & MOs

Info

ID:

160814

PubChem CID:

57389858

Reduced:

FN6O7C26H31 (1)

Stoich.:

AB6C7D26E31 (1)

Weight, g/mol:

571.25546

ΔHf, kcal/mol:

-287.58

Dipole, Da:

7.56

IP(EA), eV:

 -9.44(-1.07)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[9-(dimethylcarbamoylamino)-4-[(4-fluoro-3-methylphenyl)methylcarbamoyl]-5,6-dioxo-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)NC(=O)OC)F

DOS

IR

Vibrations