Geometry & MOs

Info

ID:

17622

PubChem CID:

507947

Reduced:

FO4N6C28H29 (1)

Stoich.:

AB4C6D28E29 (1)

Weight, g/mol:

532.223432

ΔHf, kcal/mol:

-82.72

Dipole, Da:

8.16

IP(EA), eV:

 -9.01(-1.12)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-[7-[5-(butan-2-ylamino)-1,2,4-oxadiazol-3-yl]-4-fluoro-1H-indol-3-yl]ethane-1,2-dione

Drug info:

PubChemData

Smile

CCC(C)NC1=NC(=NO1)C2=C3C(=C(C=C2)F)C(=CN3)C(=O)C(=O)N4CCN(C[C@H]4C)C(=O)C5=CC=CC=C5

DOS

IR

Vibrations