Geometry & MOs

Info

ID:

114206

PubChem CID:

50474269

Reduced:

FN6O6C40H51 (1)

Stoich.:

AB6C6D40E51 (1)

Weight, g/mol:

698.359197

ΔHf, kcal/mol:

-292.82

Dipole, Da:

6.39

IP(EA), eV:

 -8.36(-0.24)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-[3-(cyclohexanecarbonylamino)anilino]-3-oxopropyl]-1-[2-[3-[(2-fluoro-4-methylphenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCC(C)C(=O)NC1=C(C=CC(=C1)NC(=O)C(C(C)C)NC(=O)C2CCN(CC2)CC(=O)NC3=CC=CC(=C3C)C(=O)NC4=C(C=C(C=C4)C)F)OC

DOS

IR

Vibrations