Geometry & MOs

Info

ID:

90303

PubChem CID:

49968540

Reduced:

FO4N5C34H44 (1)

Stoich.:

AB4C5D34E44 (1)

Weight, g/mol:

740.406147

ΔHf, kcal/mol:

-211.79

Dipole, Da:

10.09

IP(EA), eV:

 -8.79(-0.5)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[2-[(3-fluorophenyl)carbamoyl]-6-methylanilino]-3-methyl-1-oxobutan-2-yl]-1-[1-[2-methyl-5-(4-methylpiperidine-1-carbonyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1CCN(CC1)C(=O)C2=CC(=C(C=C2)C)NC(=O)CN3CCC(CC3)C(=O)N4CCCC4C(=O)NC5=CC(=C(C=C5)C)F

DOS

IR

Vibrations