Geometry & MOs

Info

ID:

118742

PubChem CID:

50657263

Reduced:

ClO5N6C38H51 (1)

Stoich.:

AB5C6D38E51 (1)

Weight, g/mol:

666.329646

ΔHf, kcal/mol:

-226.7

Dipole, Da:

9.59

IP(EA), eV:

 -9.04(-0.44)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[2-chloro-5-(3-methylpiperidine-1-carbonyl)anilino]-2-oxoethyl]-N-[3-[2-methyl-6-(propylcarbamoyl)anilino]-3-oxopropyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1CCCN(C1)C(=O)C2=CC(=C(C=C2)Cl)NC(=O)CN3CCC(CC3)C(=O)NCCC(=O)NC4=C(C=CC=C4C(=O)N5CCCC(C5)C)C

DOS

IR

Vibrations