Geometry & MOs

Info

ID:

116724

PubChem CID:

50572751

Reduced:

ClN5O6C32H40 (1)

Stoich.:

AB5C6D32E40 (1)

Weight, g/mol:

682.324561

ΔHf, kcal/mol:

-238.53

Dipole, Da:

3.81

IP(EA), eV:

 -8.41(-0.49)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-[5-(butan-2-ylcarbamoyl)-2-methoxyanilino]-2-oxoethyl]-1-[2-[4-chloro-3-(cyclohexylcarbamoyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC(C(=O)NC1=CC2=C(C=C1)OCCO2)NC(=O)C3CCN(CC3)CC(=O)NC4=CC(=C(C=C4)Cl)C(=O)NC5CCCCC5

DOS

IR

Vibrations