Geometry & MOs

Info

ID:

108606

PubChem CID:

50251459

Reduced:

FO5N6C42H47 (1)

Stoich.:

AB5C6D42E47 (1)

Weight, g/mol:

752.349775

ΔHf, kcal/mol:

-211.17

Dipole, Da:

12.68

IP(EA), eV:

 -8.7(-0.79)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)F)NC(=O)C2=CC(=C(C=C2)NC(=O)C(C)N3CCC(CC3)C(=O)NC(C(C)C)C(=O)NC4=CC=CC=C4C(=O)NC5=CC=CC=C5)C

DOS

IR

Vibrations