Geometry & MOs

Info

ID:

94539

PubChem CID:

50002182

Reduced:

BrO4N5C31H42 (1)

Stoich.:

AB4C5D31E42 (1)

Weight, g/mol:

585.312661

ΔHf, kcal/mol:

-179.05

Dipole, Da:

1.82

IP(EA), eV:

 -9.09(-0.38)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[5-(butan-2-ylcarbamoyl)-2-methylanilino]-2-oxoethyl]-N-[1-(2,4-difluoroanilino)-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=CC(=CC=C3)Br

DOS

IR

Vibrations