Geometry & MOs

Info

ID:

91330

PubChem CID:

49975166

Reduced:

ClN6O6C36H41 (1)

Stoich.:

AB6C6D36E41 (1)

Weight, g/mol:

592.300933

ΔHf, kcal/mol:

-207.85

Dipole, Da:

6.78

IP(EA), eV:

 -8.74(-0.9)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[2-methyl-5-(morpholine-4-carbonyl)anilino]-2-oxoethyl]-N-[2-oxo-2-[3-(propanoylamino)anilino]ethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)N2CCOCC2)NC(=O)CN3CCC(CC3)C(=O)NCC(=O)NC4=C(C=CC(=C4)C(=O)NC5=CC=CC=C5C)Cl

DOS

IR

Vibrations