Geometry & MOs

Info

ID:

105949

PubChem CID:

50143872

Reduced:

O4N5C32H45 (1)

Stoich.:

A4B5C32D45 (1)

Weight, g/mol:

579.34207

ΔHf, kcal/mol:

-185.42

Dipole, Da:

6.79

IP(EA), eV:

 -8.64(-0.34)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-(2-methoxyanilino)-3-methyl-1-oxobutan-2-yl]-1-[2-[2-methyl-4-(2-methylpropylcarbamoyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)NC(=O)C(C(C)C)NC(=O)C2CCN(CC2)CC(=O)NC3=C(C=C(C=C3)C(=O)NCC(C)C)C

DOS

IR

Vibrations