Geometry & MOs

Info

ID:

119213

PubChem CID:

50674027

Reduced:

ClN6O6C42H51 (1)

Stoich.:

AB6C6D42E51 (1)

Weight, g/mol:

738.306324

ΔHf, kcal/mol:

-219.29

Dipole, Da:

11.93

IP(EA), eV:

 -8.62(-0.55)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[4-chloro-2-(cyclohexylcarbamoyl)phenyl]-1-[1-[2-[2-chloro-5-(piperidine-1-carbonyl)anilino]-2-oxoethyl]piperidine-4-carbonyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1CCN(CC1)C(=O)C2=CC(=C(C=C2)Cl)NC(=O)C(C)N3CCC(CC3)C(=O)N4CCCC4C(=O)NC5=C(C=CC(=C5)C(=O)NC6=CC=CC=C6C)OC

DOS

IR

Vibrations