Geometry & MOs

Info

ID:

111149

PubChem CID:

50354394

Reduced:

ClO5N6C37H49 (1)

Stoich.:

AB5C6D37E49 (1)

Weight, g/mol:

652.313996

ΔHf, kcal/mol:

-220.27

Dipole, Da:

8.25

IP(EA), eV:

 -8.95(-0.49)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1CCCN(C1)C(=O)C2=C(C=CC(=C2)NC(=O)C(C)NC(=O)C3CCN(CC3)CC(=O)NC4=CC=CC(=C4C)C(=O)N5CCCCC5)Cl

DOS

IR

Vibrations