Geometry & MOs

Info

ID:

101179

PubChem CID:

50064438

Reduced:

ClFO5N6C43H48 (1)

Stoich.:

ABC5D6E43F48 (1)

Weight, g/mol:

688.338461

ΔHf, kcal/mol:

-218.79

Dipole, Da:

10.3

IP(EA), eV:

 -8.58(-0.74)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)NC(=O)C2=CC(=C(C=C2)C)NC(=O)C(C)N3CCC(CC3)C(=O)NC(C(C)C)C(=O)NC4=CC(=C(C=C4)C(=O)NC5=CC=CC=C5C)Cl)F

DOS

IR

Vibrations