Geometry & MOs

Info

ID:

99605

PubChem CID:

50052148

Reduced:

FN6O6C42H51 (1)

Stoich.:

AB6C6D42E51 (1)

Weight, g/mol:

784.356003

ΔHf, kcal/mol:

-277.74

Dipole, Da:

5.7

IP(EA), eV:

 -8.35(-0.57)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=C(C=C(C=C2)F)C)NC(=O)CN3CCC(CC3)C(=O)N4CCCC4C(=O)NC5=CC(=C(C=C5)OC)NC(=O)C6CCCCC6

DOS

IR

Vibrations