Geometry & MOs

Info

ID:

116717

PubChem CID:

50572558

Reduced:

ClN6O7C35H47 (1)

Stoich.:

AB6C7D35E47 (1)

Weight, g/mol:

704.288924

ΔHf, kcal/mol:

-285.21

Dipole, Da:

11.17

IP(EA), eV:

 -8.75(-0.61)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[4-chloro-3-(cyclohexylcarbamoyl)anilino]-2-oxoethyl]-N-[2-[4-[(5-fluoro-2-methylphenyl)carbamoyl]anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCC(=O)NC1=C(C=CC(=C1)NC(=O)C(C(C)C)NC(=O)C2CCN(CC2)C(C)C(=O)NC3=CC(=C(C=C3)Cl)C(=O)N4CCOCC4)OC

DOS

IR

Vibrations