Geometry & MOs

Info

ID:

115213

PubChem CID:

50513714

Reduced:

ClN6O6C34H47 (1)

Stoich.:

AB6C6D34E47 (1)

Weight, g/mol:

698.359197

ΔHf, kcal/mol:

-269.25

Dipole, Da:

6.26

IP(EA), eV:

 -8.97(-0.6)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCNC(=O)C1=CC(=C(C=C1)OC)NC(=O)C(C(C)C)NC(=O)C2CCN(CC2)CC(=O)NC3=CC(=C(C=C3)Cl)C(=O)NC(C)C

DOS

IR

Vibrations