Geometry & MOs

Info

ID:

112082

PubChem CID:

50393945

Reduced:

ClN6O7C37H49 (1)

Stoich.:

AB6C7D37E49 (1)

Weight, g/mol:

632.332233

ΔHf, kcal/mol:

-287.52

Dipole, Da:

4.86

IP(EA), eV:

 -8.98(-0.77)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(4-acetamidophenyl)-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=C(C=C3)Cl)C(=O)N4CCOCC4)C(=O)N5CCOCC5

DOS

IR

Vibrations