Geometry & MOs

Info

ID:

90740

PubChem CID:

49971787

Reduced:

FO5N6C41H51 (1)

Stoich.:

AB5C6D41E51 (1)

Weight, g/mol:

694.384269

ΔHf, kcal/mol:

-244.58

Dipole, Da:

10.34

IP(EA), eV:

 -8.58(-0.45)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[2-methyl-5-(4-methylpiperidine-1-carbonyl)anilino]-1-oxopropan-2-yl]-N-[3-[2-methyl-6-(phenylcarbamoyl)anilino]-3-oxopropyl]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)NCCC(=O)NC4=C(C=CC=C4C(=O)NC5=C(C=C(C=C5)F)C)C

DOS

IR

Vibrations