Geometry & MOs

Info

ID:

111394

PubChem CID:

50364837

Reduced:

FO3N4C29H37 (1)

Stoich.:

AB3C4D29E37 (1)

Weight, g/mol:

590.321668

ΔHf, kcal/mol:

-169.63

Dipole, Da:

5.61

IP(EA), eV:

 -8.82(-0.15)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-(2-carbamoylanilino)-3-methyl-1-oxobutan-2-yl]-1-[2-[2-methyl-3-(pyrrolidine-1-carbonyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)NC(=O)C2CCN(CC2)C(C)C(=O)NC3=CC=CC(=C3C)C(=O)N4CCCCC4)F

DOS

IR

Vibrations