Geometry & MOs

Info

ID:

90182

PubChem CID:

49967460

Reduced:

O5N6C40H50 (1)

Stoich.:

A5B6C40D50 (1)

Weight, g/mol:

652.313996

ΔHf, kcal/mol:

-194.71

Dipole, Da:

6.01

IP(EA), eV:

 -8.52(-0.41)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[2-chloro-5-(propanoylamino)anilino]-1-oxopropan-2-yl]-1-[2-[2-methyl-5-(4-methylpiperidine-1-carbonyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1CCN(CC1)C(=O)C2=CC(=C(C=C2)C)NC(=O)CN3CCC(CC3)C(=O)NC(C)C(=O)NC4=C(C=CC=C4C(=O)NC5=CC=CC=C5C)C

DOS

IR

Vibrations