Geometry & MOs

Info

ID:

116667

PubChem CID:

50570907

Reduced:

ClF2N6O6C37H39 (1)

Stoich.:

AB2C6D6E37F39 (1)

Weight, g/mol:

720.259374

ΔHf, kcal/mol:

-289.83

Dipole, Da:

4.26

IP(EA), eV:

 -9.08(-0.62)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-(3-benzamido-4-chloroanilino)-3-oxopropyl]-1-[1-[4-chloro-3-(cyclopentylcarbamoyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

C1CC(N(C1)C(=O)C2CCN(CC2)CC(=O)NC3=CC(=C(C=C3)Cl)C(=O)N4CCOCC4)C(=O)NC5=CC=CC(=C5)C(=O)NC6=C(C=CC=C6F)F

DOS

IR

Vibrations