Geometry & MOs

Info

ID:

112552

PubChem CID:

50411387

Reduced:

F2O4N5C32H35 (1)

Stoich.:

A2B4C5D32E35 (1)

Weight, g/mol:

577.362805

ΔHf, kcal/mol:

-214.43

Dipole, Da:

6.87

IP(EA), eV:

 -8.9(-0.69)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)C2CCN(CC2)C(C)C(=O)NC3=CC=CC(=C3C)C(=O)NC)C(=O)NC4=CC(=C(C=C4)F)F

DOS

IR

Vibrations