Geometry & MOs

Info

ID:

110726

PubChem CID:

50337780

Reduced:

FN6O6C36H43 (1)

Stoich.:

AB6C6D36E43 (1)

Weight, g/mol:

592.337319

ΔHf, kcal/mol:

-256.65

Dipole, Da:

8.69

IP(EA), eV:

 -8.83(-0.52)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-[2-methyl-5-(methylcarbamoyl)anilino]-2-oxoethyl]-1-[1-[2-methyl-3-(2-methylpropylcarbamoyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCCNC(=O)C1=C(C(=CC=C1)NC(=O)CN2CCC(CC2)C(=O)NCCC(=O)NC3=C(C=CC(=C3)C(=O)NC4=CC=C(C=C4)F)OC)C

DOS

IR

Vibrations