Geometry & MOs

Info

ID:

117384

PubChem CID:

50600780

Reduced:

Cl2O5N6C41H44 (1)

Stoich.:

A2B5C6D41E44 (1)

Weight, g/mol:

646.267046

ΔHf, kcal/mol:

-159.56

Dipole, Da:

6.4

IP(EA), eV:

 -8.94(-0.75)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[2-chloro-5-(dimethylcarbamoyl)anilino]-2-oxoethyl]-N-[1-[2-methyl-6-(phenylcarbamoyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1NC(=O)C2=C(C=CC(=C2)NC(=O)C(C)N3CCC(CC3)C(=O)NC(C(C)C)C(=O)NC4=C(C=CC(=C4)Cl)C(=O)NC5=CC=CC=C5)Cl

DOS

IR

Vibrations