Geometry & MOs

Info

ID:

119212

PubChem CID:

50674026

Reduced:

ClFN6O6C41H48 (1)

Stoich.:

ABC6D6E41F48 (1)

Weight, g/mol:

770.355861

ΔHf, kcal/mol:

-258.78

Dipole, Da:

5.87

IP(EA), eV:

 -8.79(-0.71)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[1-[2-chloro-5-(4-methylpiperidine-1-carbonyl)anilino]-1-oxopropan-2-yl]piperidine-4-carbonyl]-N-[2-methoxy-5-[(2-methylphenyl)carbamoyl]phenyl]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=C(C=C6)F)OC

DOS

IR

Vibrations