Geometry & MOs

Info

ID:

95922

PubChem CID:

50016813

Reduced:

FO4N5C36H44 (1)

Stoich.:

AB4C5D36E44 (1)

Weight, g/mol:

634.384269

ΔHf, kcal/mol:

-185.13

Dipole, Da:

5.92

IP(EA), eV:

 -8.68(-0.36)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[2-methyl-5-(methylcarbamoyl)anilino]-1-oxopropan-2-yl]-N-[3-methyl-1-[2-methyl-6-(2-methylpropylcarbamoyl)anilino]-1-oxobutan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCN(CC)C(=O)C1=CC(=C(C=C1)C)NC(=O)C(C)N2CCC(CC2)C(=O)NC3=CC(=C(C=C3)C)NC(=O)CC4=CC=C(C=C4)F

DOS

IR

Vibrations