Geometry & MOs

Info

ID:

115960

PubChem CID:

50541086

Reduced:

ClFN6O6C39H46 (1)

Stoich.:

ABC6D6E39F46 (1)

Weight, g/mol:

720.376597

ΔHf, kcal/mol:

-258.85

Dipole, Da:

11.44

IP(EA), eV:

 -8.88(-0.64)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[1-[4-chloro-3-(2-methylpropylcarbamoyl)anilino]-1-oxopropan-2-yl]piperidine-4-carbonyl]-N-[2-methyl-6-(4-methylpiperidine-1-carbonyl)phenyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC(C)CNC(=O)C1=C(C=CC(=C1)NC(=O)C(C)N2CCC(CC2)C(=O)N3CCCC3C(=O)NC4=C(C=CC(=C4)NC(=O)C5=CC(=CC=C5)OC)F)Cl

DOS

IR

Vibrations