Geometry & MOs

Info

ID:

111540

PubChem CID:

50371640

Reduced:

ClN5O5C34H38 (1)

Stoich.:

AB5C5D34E38 (1)

Weight, g/mol:

577.32642

ΔHf, kcal/mol:

-163.81

Dipole, Da:

8.34

IP(EA), eV:

 -8.86(-0.97)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[2-methyl-3-(morpholine-4-carbonyl)anilino]-1-oxopropan-2-yl]-N-[2-(2-methylpropylcarbamoyl)phenyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)C(C)N2CCC(CC2)C(=O)NC3=C(C=CC(=C3)C(=O)NC4=CC=CC=C4)Cl)C(=O)N5CCOCC5

DOS

IR

Vibrations