Geometry & MOs

Info

ID:

109394

PubChem CID:

50282865

Reduced:

FO5N6C39H45 (1)

Stoich.:

AB5C6D39E45 (1)

Weight, g/mol:

728.345296

ΔHf, kcal/mol:

-214.45

Dipole, Da:

1.84

IP(EA), eV:

 -8.76(-0.59)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[4-chloro-2-(4-methylpiperidine-1-carbonyl)anilino]-1-oxopropan-2-yl]-1-[1-[2-methyl-4-[(2-methylphenyl)carbamoyl]anilino]-1-oxopropan-2-yl]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)N4CCCC4C(=O)NC5=CC=CC=C5C(=O)N6CCCC6)C)F

DOS

IR

Vibrations