Geometry & MOs

Info

ID:

94479

PubChem CID:

50001923

Reduced:

SO4N7C29H43 (1)

Stoich.:

AB4C7D29E43 (1)

Weight, g/mol:

585.312661

ΔHf, kcal/mol:

-166.0

Dipole, Da:

10.96

IP(EA), eV:

 -8.84(-0.73)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC1=NN=C(S1)NC(=O)C(C(C)C)NC(=O)C2CCN(CC2)CC(=O)NC3=C(C=CC(=C3)C(=O)NC(C)CC)C

DOS

IR

Vibrations