Geometry & MOs

Info

ID:

100214

PubChem CID:

50059205

Reduced:

ClO4N5C36H36 (1)

Stoich.:

AB4C5D36E36 (1)

Weight, g/mol:

595.17531

ΔHf, kcal/mol:

-105.52

Dipole, Da:

7.72

IP(EA), eV:

 -8.61(-0.61)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-(2,5-dichloroanilino)-2-oxoethyl]-1-[2-[2-methyl-5-(phenylcarbamoyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C(=O)NC2=C(C=C(C=C2)NC(=O)C3CCN(CC3)CC(=O)NC4=C(C=CC(=C4)C(=O)NC5=CC=CC=C5)C)Cl

DOS

IR

Vibrations