Geometry & MOs

Info

ID:

96671

PubChem CID:

50023373

Reduced:

FN3O3C20H21 (2)

Stoich.:

AB3C3D20E21 (2)

Weight, g/mol:

698.359197

ΔHf, kcal/mol:

-265.25

Dipole, Da:

4.33

IP(EA), eV:

 -8.99(-0.52)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[5-[(4-fluorophenyl)methylcarbamoyl]-2-methylanilino]-1-oxopropan-2-yl]-N-[1-[2-methyl-5-(pyrrolidine-1-carbonyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NCC2=CC=C(C=C2)F)NC(=O)C(C)N3CCC(CC3)C(=O)NCC(=O)NC4=C(C=CC(=C4)NC(=O)C5=CC(=CC=C5)OC)F

DOS

IR

Vibrations