Geometry & MOs

Info

ID:

90811

PubChem CID:

49972133

Reduced:

F3O4N5C34H44 (1)

Stoich.:

A3B4C5D34E44 (1)

Weight, g/mol:

621.369033

ΔHf, kcal/mol:

-305.37

Dipole, Da:

7.99

IP(EA), eV:

 -8.79(-1.01)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-(5-fluoro-2-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)C(C)N3CCC(CC3)C(=O)NC(C(C)C)C(=O)NC4=C(C(=C(C=C4)F)F)F

DOS

IR

Vibrations