Geometry & MOs

Info

ID:

120246

PubChem CID:

50719208

Reduced:

ClN6O6C38H45 (1)

Stoich.:

AB6C6D38E45 (1)

Weight, g/mol:

714.329646

ΔHf, kcal/mol:

-206.53

Dipole, Da:

8.05

IP(EA), eV:

 -9.02(-0.89)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[2-chloro-5-(phenylcarbamoyl)anilino]-1-oxopropan-2-yl]-N-[3-methyl-1-oxo-1-[2-(piperidine-1-carbonyl)anilino]butan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC(C)C(C(=O)NC1=CC=CC(=C1)C(=O)N2CCOCC2)NC(=O)C3CCN(CC3)C(C)C(=O)NC4=C(C=CC(=C4)C(=O)NC5=CC=CC=C5)Cl

DOS

IR

Vibrations