Geometry & MOs

Info

ID:

112075

PubChem CID:

50393757

Reduced:

ClN6O6C39H53 (1)

Stoich.:

AB6C6D39E53 (1)

Weight, g/mol:

603.34207

ΔHf, kcal/mol:

-274.4

Dipole, Da:

4.9

IP(EA), eV:

 -9.02(-0.7)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(2,6-dimethylphenyl)-1-[1-[1-[2-methyl-3-(morpholine-4-carbonyl)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)NC(C(C)C)C(=O)NC3=C(C=CC(=C3)Cl)C(=O)NC4CCCCC4)C(=O)N5CCOCC5

DOS

IR

Vibrations