Geometry & MOs

Info

ID:

115341

PubChem CID:

50519347

Reduced:

ClO4N5C30H38 (1)

Stoich.:

AB4C5D30E38 (1)

Weight, g/mol:

625.227881

ΔHf, kcal/mol:

-163.52

Dipole, Da:

5.81

IP(EA), eV:

 -8.89(-0.48)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[4-chloro-3-(dimethylcarbamoyl)anilino]-2-oxoethyl]-N-[3-methyl-1-oxo-1-[2-(trifluoromethoxy)anilino]butan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC(C)NC(=O)C1=C(C=CC(=C1)NC(=O)C(C)N2CCC(CC2)C(=O)NC3=CC=CC=C3C(=O)N4CCCC4)Cl

DOS

IR

Vibrations