Geometry & MOs

Info

ID:

118663

PubChem CID:

50652708

Reduced:

ClFN6O6C39H48 (1)

Stoich.:

ABC6D6E39F48 (1)

Weight, g/mol:

706.324561

ΔHf, kcal/mol:

-282.87

Dipole, Da:

3.59

IP(EA), eV:

 -8.19(-0.86)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[2-[2-chloro-5-(3-methylpiperidine-1-carbonyl)anilino]-2-oxoethyl]piperidine-4-carbonyl]-N-[3-(morpholine-4-carbonyl)phenyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations