Geometry & MOs

Info

ID:

118868

PubChem CID:

50662216

Reduced:

ClFN6O6C36H42 (1)

Stoich.:

ABC6D6E36F42 (1)

Weight, g/mol:

696.340211

ΔHf, kcal/mol:

-262.91

Dipole, Da:

13.29

IP(EA), eV:

 -8.59(-0.73)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[2-chloro-5-(propylcarbamoyl)anilino]-1-oxopropan-2-yl]-N-[3-[3-(cyclohexanecarbonylamino)-4-methoxyanilino]-3-oxopropyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCCNC(=O)C1=CC(=C(C=C1)Cl)NC(=O)C(C)N2CCC(CC2)C(=O)NCCC(=O)NC3=CC(=C(C=C3)OC)NC(=O)C4=CC=C(C=C4)F

DOS

IR

Vibrations