Geometry & MOs

Info

ID:

184855

PubChem CID:

77221426

Reduced:

F2O3N6C28H28 (1)

Stoich.:

A2B3C6D28E28 (1)

Weight, g/mol:

549.194296

ΔHf, kcal/mol:

-131.94

Dipole, Da:

5.58

IP(EA), eV:

 -9.16(-0.9)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

6-chloro-N-[1-[5-(6-fluoro-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

CC(C)(C)C(C(=O)N1CC2CC1CN2C(=O)C3=NC4=CC=CC=C4N3)NC(=O)C5=CC6=C(N5)C=C(C=C6F)F

DOS

IR

Vibrations