Geometry & MOs

Info

ID:

111464

PubChem CID:

50369259

Reduced:

N6O6C35H46 (1)

Stoich.:

A6B6C35D46 (1)

Weight, g/mol:

577.290034

ΔHf, kcal/mol:

-234.23

Dipole, Da:

7.81

IP(EA), eV:

 -8.87(-0.5)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)CN2CCC(CC2)C(=O)NCCC(=O)NC3=CC=CC=C3C(=O)N4CCCCC4)C(=O)N5CCOCC5

DOS

IR

Vibrations