Geometry & MOs

Info

ID:

118536

PubChem CID:

50646160

Reduced:

Cl2O5N6C37H50 (1)

Stoich.:

A2B5C6D37E50 (1)

Weight, g/mol:

694.360946

ΔHf, kcal/mol:

-247.09

Dipole, Da:

5.1

IP(EA), eV:

 -8.76(-0.65)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[2-chloro-5-(2-methylpropylcarbamoyl)anilino]-2-oxoethyl]-N-[3-methyl-1-[2-methyl-3-(piperidine-1-carbonyl)anilino]-1-oxobutan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC(C)CNC(=O)C1=CC(=C(C=C1)Cl)NC(=O)CN2CCC(CC2)C(=O)NC(C(C)C)C(=O)NC3=C(C=CC(=C3)NC(=O)C4CCCCC4)Cl

DOS

IR

Vibrations