Geometry & MOs

Info

ID:

111928

PubChem CID:

50387139

Reduced:

FN6O6C37H49 (1)

Stoich.:

AB6C6D37E49 (1)

Weight, g/mol:

726.390497

ΔHf, kcal/mol:

-293.56

Dipole, Da:

6.19

IP(EA), eV:

 -8.59(-0.39)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC(C)C(=O)NC1=CC(=C(C=C1)F)NC(=O)C2CCCN2C(=O)C3CCN(CC3)C(C)C(=O)NC4=CC=CC(=C4C)C(=O)N5CCOCC5

DOS

IR

Vibrations