Geometry & MOs

Info

ID:

108329

PubChem CID:

50241582

Reduced:

FN5O5C36H44 (1)

Stoich.:

AB5C5D36E44 (1)

Weight, g/mol:

643.353383

ΔHf, kcal/mol:

-227.1

Dipole, Da:

4.57

IP(EA), eV:

 -8.28(-0.68)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-(2,4-dimethylanilino)-3-methyl-1-oxobutan-2-yl]-1-[1-[4-[(4-fluoro-2-methylphenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations