Geometry & MOs

Info

ID:

115696

PubChem CID:

50531299

Reduced:

ClN6O6C35H41 (1)

Stoich.:

AB6C6D35E41 (1)

Weight, g/mol:

575.20661

ΔHf, kcal/mol:

-208.28

Dipole, Da:

8.58

IP(EA), eV:

 -8.73(-0.67)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[4-chloro-3-(dimethylcarbamoyl)anilino]-1-oxopropan-2-yl]-N-[3-(4-chloro-2-methylanilino)-3-oxopropyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC(C(=O)NC1=CC=CC(=C1)NC(=O)C2=CC=CC=C2OC)NC(=O)C3CCN(CC3)C(C)C(=O)NC4=CC(=C(C=C4)Cl)C(=O)N(C)C

DOS

IR

Vibrations