Geometry & MOs

Info

ID:

100517

PubChem CID:

50062123

Reduced:

F3O5N6C43H47 (1)

Stoich.:

A3B5C6D43E47 (1)

Weight, g/mol:

780.381075

ΔHf, kcal/mol:

-300.89

Dipole, Da:

11.06

IP(EA), eV:

 -8.98(-0.7)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[5-[(5-fluoro-2-methylphenyl)carbamoyl]-2-methylanilino]-3-methyl-1-oxobutan-2-yl]-1-[1-[5-[(4-fluoro-2-methylphenyl)carbamoyl]-2-methylanilino]-1-oxopropan-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)C(C)N3CCC(CC3)C(=O)NC(C(C)C)C(=O)NC4=C(C=CC(=C4)C(=O)NC5=C(C=CC(=C5)F)F)C

DOS

IR

Vibrations