Geometry & MOs

Info

ID:

101353

PubChem CID:

50064617

Reduced:

FO5N6C44H57 (1)

Stoich.:

AB5C6D44E57 (1)

Weight, g/mol:

756.401062

ΔHf, kcal/mol:

-266.12

Dipole, Da:

10.51

IP(EA), eV:

 -8.5(-0.53)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1CCCCC1NC(=O)C2=CC(=C(C=C2)C)NC(=O)C(C(C)C)NC(=O)C3CCN(CC3)C(C)C(=O)NC4=C(C=CC(=C4)C(=O)NC5=C(C=C(C=C5)C)F)C

DOS

IR

Vibrations