Geometry & MOs

Info

ID:

105637

PubChem CID:

50135494

Reduced:

FO4N5C35H46 (1)

Stoich.:

AB4C5D35E46 (1)

Weight, g/mol:

658.384269

ΔHf, kcal/mol:

-219.65

Dipole, Da:

7.74

IP(EA), eV:

 -8.68(-0.06)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-(dimethylcarbamoyl)phenyl]-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)C)F)C

DOS

IR

Vibrations