Geometry & MOs

Info

ID:

111387

PubChem CID:

50364435

Reduced:

F2O5N6C41H50 (1)

Stoich.:

A2B5C6D41E50 (1)

Weight, g/mol:

740.406147

ΔHf, kcal/mol:

-281.07

Dipole, Da:

4.46

IP(EA), eV:

 -8.73(-0.9)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1CCCN(C1)C(=O)C2=C(C(=CC=C2)NC(=O)C(C)N3CCC(CC3)C(=O)NC(C(C)C)C(=O)NC4=CC=CC=C4C(=O)NC5=C(C=CC=C5F)F)C

DOS

IR

Vibrations