Geometry & MOs

Info

ID:

112972

PubChem CID:

50427812

Reduced:

N2O2C13H16 (3)

Stoich.:

A2B2C13D16 (3)

Weight, g/mol:

682.347883

ΔHf, kcal/mol:

-215.41

Dipole, Da:

9.42

IP(EA), eV:

 -8.42(-0.19)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[4-methoxy-3-(propanoylamino)phenyl]-1-[1-[1-[2-methyl-3-(phenylcarbamoyl)anilino]-1-oxopropan-2-yl]piperidine-4-carbonyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)C(C)N2CCC(CC2)C(=O)N3CCCC3C(=O)NC4=CC(=C(C=C4)OC)NC(=O)C(C)C)C(=O)NC5=CC=CC=C5

DOS

IR

Vibrations