Geometry & MOs

Info

ID:

99128

PubChem CID:

50048551

Reduced:

FN5O5C36H44 (1)

Stoich.:

AB5C5D36E44 (1)

Weight, g/mol:

693.2326

ΔHf, kcal/mol:

-225.45

Dipole, Da:

9.35

IP(EA), eV:

 -8.49(-0.36)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-(4-bromo-3-methylanilino)-3-methyl-1-oxobutan-2-yl]-1-[2-[5-[(4-fluoro-2-methylphenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)OC)NC(=O)C(C(C)C)NC(=O)C2CCN(CC2)CC(=O)NC3=C(C=CC(=C3)C(=O)NC4=C(C=C(C=C4)F)C)C

DOS

IR

Vibrations