Geometry & MOs

Info

ID:

117660

PubChem CID:

50609728

Reduced:

Cl2O5N6C40H42 (1)

Stoich.:

A2B5C6D40E42 (1)

Weight, g/mol:

639.243532

ΔHf, kcal/mol:

-157.2

Dipole, Da:

12.84

IP(EA), eV:

 -8.67(-0.93)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[4-chloro-3-(diethylcarbamoyl)anilino]-1-oxopropan-2-yl]-N-[1-oxo-1-[2-(trifluoromethoxy)anilino]propan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC(C)C(C(=O)NC1=CC=CC(=C1)NC(=O)C2=CC=CC=C2Cl)NC(=O)C3CCN(CC3)C(C)C(=O)NC4=CC(=C(C=C4)Cl)C(=O)NC5=CC=CC=C5

DOS

IR

Vibrations