Geometry & MOs

Info

ID:

112073

PubChem CID:

50393755

Reduced:

ClN6O7C37H49 (1)

Stoich.:

AB6C7D37E49 (1)

Weight, g/mol:

722.355861

ΔHf, kcal/mol:

-290.22

Dipole, Da:

3.65

IP(EA), eV:

 -9.09(-0.94)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[5-chloro-2-(cyclopentylcarbamoyl)anilino]-3-methyl-1-oxobutan-2-yl]-1-[1-[2-methyl-3-(morpholine-4-carbonyl)anilino]-1-oxopropan-2-yl]piperidine-4-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)N4CCOCC4)C(=O)N5CCOCC5

DOS

IR

Vibrations