Geometry & MOs

Info

ID:

91562

PubChem CID:

49976881

Reduced:

ClN6O6C35H45 (1)

Stoich.:

AB6C6D35E45 (1)

Weight, g/mol:

597.271797

ΔHf, kcal/mol:

-249.91

Dipole, Da:

7.83

IP(EA), eV:

 -9.03(-0.97)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-(2-chloroanilino)-3-methyl-1-oxobutan-2-yl]-1-[2-[2-methyl-5-(morpholine-4-carbonyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)N2CCOCC2)NC(=O)CN3CCC(CC3)C(=O)NCCC(=O)NC4=C(C=C(C=C4)Cl)C(=O)NC5CCCC5

DOS

IR

Vibrations