Geometry & MOs

Info

ID:

116411

PubChem CID:

50559448

Reduced:

ClN6O6C38H49 (1)

Stoich.:

AB6C6D38E49 (1)

Weight, g/mol:

668.308911

ΔHf, kcal/mol:

-251.66

Dipole, Da:

7.94

IP(EA), eV:

 -8.18(-0.4)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[4-chloro-3-(2-methylpropylcarbamoyl)anilino]-2-oxoethyl]-N-[1-[2-methyl-3-(morpholine-4-carbonyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

COC1=C(C=CC(=C1)NC(=O)C2CCCN2C(=O)C3CCN(CC3)CC(=O)NC4=CC(=C(C=C4)Cl)C(=O)N5CCCC5)NC(=O)C6CCCCC6

DOS

IR

Vibrations