Geometry & MOs

Info

ID:

114983

PubChem CID:

50504703

Reduced:

ClO5N6C33H37 (1)

Stoich.:

AB5C6D33E37 (1)

Weight, g/mol:

601.22226

ΔHf, kcal/mol:

-177.94

Dipole, Da:

14.43

IP(EA), eV:

 -8.88(-0.52)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)C(=O)NC2=CC(=CC=C2)NC(=O)C(C)NC(=O)C3CCN(CC3)C(C)C(=O)NC4=CC(=C(C=C4)Cl)C(=O)N

DOS

IR

Vibrations