Geometry & MOs

Info

ID:

184857

PubChem CID:

77221428

Reduced:

F2O2N3H21C26 (1)

Stoich.:

A2B2C3D21E26 (1)

Weight, g/mol:

545.243833

ΔHf, kcal/mol:

-52.04

Dipole, Da:

3.73

IP(EA), eV:

 -8.64(-0.82)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

7-fluoro-N-[1-[5-(6-methoxy-1H-indole-2-carbonyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-3,3-dimethyl-1-oxobutan-2-yl]-1H-indole-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C2=C(CN1C3=CN=CC=C3)C(=CC=C2)F)C(=O)NC(C4CC4=O)C5=CC(=CC=C5)F

DOS

IR

Vibrations