Geometry & MOs

Info

ID:

109081

PubChem CID:

50271997

Reduced:

FN6O6C42H47 (1)

Stoich.:

AB6C6D42E47 (1)

Weight, g/mol:

686.359197

ΔHf, kcal/mol:

-234.62

Dipole, Da:

13.46

IP(EA), eV:

 -8.73(-0.81)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[2-fluoro-5-(2-methylpropanoylamino)anilino]-3-methyl-1-oxobutan-2-yl]-1-[1-[2-methyl-4-(phenylcarbamoyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)NC2=CC=CC=C2)NC(=O)C(C)N3CCC(CC3)C(=O)NC(C(C)C)C(=O)NC4=C(C=CC(=C4)NC(=O)C5=CC=CC=C5OC)F

DOS

IR

Vibrations