Geometry & MOs

Info

ID:

446449

PubChem CID:

135275055

Reduced:

O3F4N6H28C30 (1)

Stoich.:

A3B4C6D28E30 (1)

Weight, g/mol:

550.194023

ΔHf, kcal/mol:

-229.36

Dipole, Da:

5.93

IP(EA), eV:

 -8.34(-0.86)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-[10-(6,6-difluoro-1,4-oxazepane-4-carbonyl)-6-fluoro-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-3-yl]-3-imidazo[1,2-a]pyridin-3-yl-1,2-dihydropyrrol-5-one

Drug info:

PubChemData

Smile

C1CN(CCC1C(C(F)(F)F)O)C(=O)N2CCN3C=C(C4=CC(=CC(=C43)C2)F)C5=C(CNC5=O)C6=CN=C7N6C=CC=C7

DOS

IR

Vibrations