Geometry & MOs

Info

ID:

111658

PubChem CID:

50376820

Reduced:

N5O5C37H45 (1)

Stoich.:

A5B5C37D45 (1)

Weight, g/mol:

634.347883

ΔHf, kcal/mol:

-175.43

Dipole, Da:

6.02

IP(EA), eV:

 -8.11(-0.37)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[3-(dimethylcarbamoyl)anilino]-3-methyl-1-oxobutan-2-yl]-1-[2-[2-methyl-3-(morpholine-4-carbonyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1CCN(CC1)C(=O)C2=C(C(=CC=C2)NC(=O)CN3CCC(CC3)C(=O)NC4=CC(=C(C=C4)NC(=O)C5=CC=CC=C5C)OC)C

DOS

IR

Vibrations