Geometry & MOs

Info

ID:

100312

PubChem CID:

50059873

Reduced:

FN3O3C20H21 (2)

Stoich.:

AB3C3D20E21 (2)

Weight, g/mol:

686.359197

ΔHf, kcal/mol:

-269.65

Dipole, Da:

10.56

IP(EA), eV:

 -8.79(-0.59)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[5-[(5-fluoro-2-methylphenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]-N-[2-[2-methyl-6-(2-methylpropylcarbamoyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=C(C=CC(=C2)F)C)NC(=O)C(C)N3CCC(CC3)C(=O)NCC(=O)NC4=C(C=CC(=C4)C(=O)NC5=CC=CC=C5F)OC

DOS

IR

Vibrations