Geometry & MOs

Info

ID:

111882

PubChem CID:

50385263

Reduced:

ClN6O6C36H47 (1)

Stoich.:

AB6C6D36E47 (1)

Weight, g/mol:

583.256147

ΔHf, kcal/mol:

-250.35

Dipole, Da:

4.75

IP(EA), eV:

 -9.02(-0.7)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)C(C)N2CCC(CC2)C(=O)NCC(=O)NC3=C(C=C(C=C3)Cl)C(=O)NC4CCCCC4)C(=O)N5CCOCC5

DOS

IR

Vibrations