Geometry & MOs

Info

ID:

119810

PubChem CID:

50703237

Reduced:

ClN6O6C35H47 (1)

Stoich.:

AB6C6D35E47 (1)

Weight, g/mol:

696.340211

ΔHf, kcal/mol:

-255.54

Dipole, Da:

4.85

IP(EA), eV:

 -8.91(-0.45)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[2-chloro-5-(diethylcarbamoyl)anilino]-2-oxoethyl]-N-[1-[5-(cyclohexylcarbamoyl)-2-methoxyanilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCN(CC)C(=O)C1=CC(=C(C=C1)Cl)NC(=O)CN2CCC(CC2)C(=O)NC(C)C(=O)NC3=C(C=CC(=C3)C(=O)NC4CCCC4)OC

DOS

IR

Vibrations