Geometry & MOs

Info

ID:

116347

PubChem CID:

50557210

Reduced:

ClO5N6C33H41 (1)

Stoich.:

AB5C6D33E41 (1)

Weight, g/mol:

680.345296

ΔHf, kcal/mol:

-196.68

Dipole, Da:

10.46

IP(EA), eV:

 -8.93(-0.41)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[4-chloro-3-(3-methylpiperidine-1-carbonyl)anilino]-1-oxopropan-2-yl]-N-[1-[4-methyl-3-(2-methylpropanoylamino)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

C1CCN(C1)C(=O)C2=CC(=CC=C2)NC(=O)CCNC(=O)C3CCN(CC3)CC(=O)NC4=CC(=C(C=C4)Cl)C(=O)N5CCCC5

DOS

IR

Vibrations