Geometry & MOs

Info

ID:

105636

PubChem CID:

50135490

Reduced:

ClF3O4N5C35H43 (1)

Stoich.:

AB3C4D5E35F43 (1)

Weight, g/mol:

619.353383

ΔHf, kcal/mol:

-330.5

Dipole, Da:

6.59

IP(EA), eV:

 -8.99(-1.0)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1CCCN(C1)C(=O)C2=CC(=C(C=C2)NC(=O)C(C)N3CCC(CC3)C(=O)N4CCCC4C(=O)NC5=C(C=C(C=C5)Cl)C(F)(F)F)C

DOS

IR

Vibrations