Geometry & MOs

Info

ID:

120631

PubChem CID:

50737919

Reduced:

F3N5O5C28H34 (1)

Stoich.:

A3B5C5D28E34 (1)

Weight, g/mol:

554.265296

ΔHf, kcal/mol:

-345.43

Dipole, Da:

5.91

IP(EA), eV:

 -8.99(-0.8)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-(2-carbamoylanilino)-1-oxopropan-2-yl]-N-[1-[2-fluoro-5-(propanoylamino)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCCNC(=O)C1=CC=CC=C1NC(=O)C(C)N2CCC(CC2)C(=O)NCC(=O)NC3=CC=CC=C3OC(F)(F)F

DOS

IR

Vibrations