Geometry & MOs

Info

ID:

91107

PubChem CID:

49973342

Reduced:

N6O7C40H48 (1)

Stoich.:

A6B7C40D48 (1)

Weight, g/mol:

535.279469

ΔHf, kcal/mol:

-242.91

Dipole, Da:

8.63

IP(EA), eV:

 -8.36(-0.38)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(4-acetamidophenyl)-1-[1-[2-methyl-5-(morpholine-4-carbonyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C(=O)NC2=C(C=CC(=C2)NC(=O)C3CCCN3C(=O)C4CCN(CC4)CC(=O)NC5=C(C=CC(=C5)C(=O)N6CCOCC6)C)OC

DOS

IR

Vibrations