Geometry & MOs

Info

ID:

91136

PubChem CID:

49973565

Reduced:

N6O6C37H50 (1)

Stoich.:

A6B6C37D50 (1)

Weight, g/mol:

666.293261

ΔHf, kcal/mol:

-250.47

Dipole, Da:

8.74

IP(EA), eV:

 -9.09(-0.64)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC(C)NC(=O)C1=CC=CC(=C1NC(=O)C2CCCN2C(=O)C3CCN(CC3)CC(=O)NC4=C(C=CC(=C4)C(=O)N5CCOCC5)C)C

DOS

IR

Vibrations