Geometry & MOs

Info

ID:

97500

PubChem CID:

50032151

Reduced:

ClF3O4N5C34H37 (1)

Stoich.:

AB3C4D5E34F37 (1)

Weight, g/mol:

599.310769

ΔHf, kcal/mol:

-299.91

Dipole, Da:

10.86

IP(EA), eV:

 -8.62(-0.96)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-(4-methoxyanilino)-3-methyl-1-oxobutan-2-yl]-1-[2-[2-methyl-5-(phenylcarbamoyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=CC=CC=C2)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