Geometry & MOs

Info

ID:

94540

PubChem CID:

50002184

Reduced:

F2O4N5C31H41 (1)

Stoich.:

A2B4C5D31E41 (1)

Weight, g/mol:

577.362805

ΔHf, kcal/mol:

-266.1

Dipole, Da:

6.75

IP(EA), eV:

 -9.04(-0.28)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[5-(butan-2-ylcarbamoyl)-2-methylanilino]-2-oxoethyl]-N-[1-(2,3-dimethylanilino)-3-methyl-1-oxobutan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCC(C)NC(=O)C1=CC(=C(C=C1)C)NC(=O)CN2CCC(CC2)C(=O)NC(C(C)C)C(=O)NC3=C(C=C(C=C3)F)F

DOS

IR

Vibrations