Geometry & MOs

Info

ID:

91526

PubChem CID:

49976644

Reduced:

FN6O7C37H43 (1)

Stoich.:

AB6C7D37E43 (1)

Weight, g/mol:

696.363533

ΔHf, kcal/mol:

-287.01

Dipole, Da:

11.09

IP(EA), eV:

 -9.11(-0.75)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-methyl-1-[2-methyl-5-(phenylcarbamoyl)anilino]-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=CC(=C4)C(=O)NC5=CC(=CC=C5)F)OC

DOS

IR

Vibrations