Geometry & MOs

Info

ID:

117286

PubChem CID:

50597303

Reduced:

Cl2O5N6C42H44 (1)

Stoich.:

A2B5C6D42E44 (1)

Weight, g/mol:

696.340211

ΔHf, kcal/mol:

-163.8

Dipole, Da:

3.48

IP(EA), eV:

 -8.39(-0.74)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[4-chloro-3-(diethylcarbamoyl)anilino]-2-oxoethyl]-N-[3-methyl-1-[2-methyl-4-(morpholine-4-carbonyl)anilino]-1-oxobutan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)NC(=O)C2CCCN2C(=O)C3CCN(CC3)C(C)C(=O)NC4=CC(=C(C=C4)Cl)C(=O)NC5=CC=CC=C5C)NC(=O)C6=CC=CC=C6Cl

DOS

IR

Vibrations