Geometry & MOs

Info

ID:

119021

PubChem CID:

50667531

Reduced:

Cl2O5N6C37H42 (1)

Stoich.:

A2B5C6D37E42 (1)

Weight, g/mol:

700.290674

ΔHf, kcal/mol:

-196.33

Dipole, Da:

7.5

IP(EA), eV:

 -8.6(-0.81)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[2-chloro-5-(3-methylpiperidine-1-carbonyl)anilino]-1-oxopropan-2-yl]-N-[1-[4-chloro-2-(propylcarbamoyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)NC(=O)C2CCCN2C(=O)C3CCN(CC3)CC(=O)NC4=C(C=CC(=C4)C(=O)NC(C)C)Cl)NC(=O)C5=CC(=CC=C5)Cl

DOS

IR

Vibrations