Geometry & MOs

Info

ID:

91547

PubChem CID:

49976841

Reduced:

ClF3N5O5C32H39 (1)

Stoich.:

AB3C5D5E32F39 (1)

Weight, g/mol:

591.34207

ΔHf, kcal/mol:

-360.24

Dipole, Da:

5.13

IP(EA), eV:

 -9.02(-1.03)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-(4-ethylanilino)-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=C(C=CC(=C4)C(F)(F)F)Cl

DOS

IR

Vibrations