Geometry & MOs

Info

ID:

17611

PubChem CID:

507476

Reduced:

F3O4N6H21C24 (1)

Stoich.:

A3B4C6D21E24 (1)

Weight, g/mol:

514.157638

ΔHf, kcal/mol:

-120.15

Dipole, Da:

9.31

IP(EA), eV:

 -8.94(-1.58)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-(4-methoxy-7H-pyrrolo[2,3-b]pyridin-3-yl)-2-[(2R)-2-methyl-4-[4-[3-(trifluoromethyl)diazirin-3-yl]benzoyl]piperazin-1-yl]ethane-1,2-dione

Drug info:

PubChemData

Smile

C[C@@H]1CN(CCN1C(=O)C(=O)C2=CN=C3C2=C(C=CN3)OC)C(=O)C4=CC=C(C=C4)C5(N=N5)C(F)(F)F

DOS

IR

Vibrations