Geometry & MOs

Info

ID:

103976

PubChem CID:

50086437

Reduced:

FN6O6C42H45 (1)

Stoich.:

AB6C6D42E45 (1)

Weight, g/mol:

684.343547

ΔHf, kcal/mol:

-218.8

Dipole, Da:

8.73

IP(EA), eV:

 -8.53(-0.64)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=CC=CC=C2)NC(=O)C(C)N3CCC(CC3)C(=O)N4CCCC4C(=O)NC5=CC(=C(C=C5)F)NC(=O)C6=CC(=CC=C6)OC

DOS

IR

Vibrations