Geometry & MOs

Info

ID:

91714

PubChem CID:

49978436

Reduced:

ClN6O6C37H49 (1)

Stoich.:

AB6C6D37E49 (1)

Weight, g/mol:

597.271797

ΔHf, kcal/mol:

-254.08

Dipole, Da:

5.3

IP(EA), eV:

 -9.2(-0.74)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-(3-chloro-2-methylanilino)-3-oxopropyl]-1-[1-[2-methyl-5-(morpholine-4-carbonyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1CCN(CC1)C(=O)C2=C(C=CC(=C2)Cl)NC(=O)C(C)NC(=O)C3CCN(CC3)C(C)C(=O)NC4=C(C=CC(=C4)C(=O)N5CCOCC5)C

DOS

IR

Vibrations