Geometry & MOs

Info

ID:

107473

PubChem CID:

50204456

Reduced:

FN3O3C20H21 (2)

Stoich.:

AB3C3D20E21 (2)

Weight, g/mol:

610.327897

ΔHf, kcal/mol:

-272.49

Dipole, Da:

13.72

IP(EA), eV:

 -8.76(-0.55)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[4-(butan-2-ylcarbamoyl)-2-methylanilino]-1-oxopropan-2-yl]-N-[2-[4-fluoro-3-(propanoylamino)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)NC(=O)CNC(=O)C2CCN(CC2)C(C)C(=O)NC3=C(C=C(C=C3)C(=O)NC4=C(C=CC(=C4)F)F)C)NC(=O)C5=CC(=CC=C5)OC

DOS

IR

Vibrations