Geometry & MOs

Info

ID:

104886

PubChem CID:

50105877

Reduced:

F2N5O5C35H41 (1)

Stoich.:

A2B5C5D35E41 (1)

Weight, g/mol:

647.328311

ΔHf, kcal/mol:

-268.81

Dipole, Da:

9.37

IP(EA), eV:

 -8.81(-0.65)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[5-[(3,4-difluorophenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]-N-[1-(2-ethylanilino)-3-methyl-1-oxobutan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations