Geometry & MOs

Info

ID:

109362

PubChem CID:

50281843

Reduced:

F2O5N6C40H42 (1)

Stoich.:

A2B5C6D40E42 (1)

Weight, g/mol:

694.384269

ΔHf, kcal/mol:

-242.71

Dipole, Da:

6.38

IP(EA), eV:

 -8.66(-0.76)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[2-methyl-4-[(2-methylphenyl)carbamoyl]anilino]-1-oxopropan-2-yl]-N-[2-[2-methyl-6-(4-methylpiperidine-1-carbonyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)NC(=O)C2=CC(=C(C=C2)NC(=O)CN3CCC(CC3)C(=O)NCCC(=O)NC4=CC=CC=C4C(=O)NC5=C(C=C(C=C5)F)C)C)F

DOS

IR

Vibrations