Geometry & MOs

Info

ID:

91568

PubChem CID:

49976932

Reduced:

BrN5O5C32H42 (1)

Stoich.:

AB5C5D32E42 (1)

Weight, g/mol:

591.34207

ΔHf, kcal/mol:

-204.83

Dipole, Da:

9.51

IP(EA), eV:

 -8.75(-0.29)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-(2,5-dimethylanilino)-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)NC(C(C)C)C(=O)NC4=CC(=C(C=C4)Br)C

DOS

IR

Vibrations