Geometry & MOs

Info

ID:

95230

PubChem CID:

50007394

Reduced:

O4N5C34H49 (1)

Stoich.:

A4B5C34D49 (1)

Weight, g/mol:

599.328311

ΔHf, kcal/mol:

-183.51

Dipole, Da:

7.08

IP(EA), eV:

 -9.04(-0.21)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[5-(butan-2-ylcarbamoyl)-2-methylanilino]-1-oxopropan-2-yl]-N-[1-(2,6-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)C(C)N2CCC(CC2)C(=O)NC(C(C)C)C(=O)NC(C)C3=CC=CC=C3

DOS

IR

Vibrations