Geometry & MOs

Info

ID:

112886

PubChem CID:

50424428

Reduced:

ClFO5N6C38H38 (1)

Stoich.:

ABC5D6E38F38 (1)

Weight, g/mol:

581.337733

ΔHf, kcal/mol:

-182.13

Dipole, Da:

3.88

IP(EA), eV:

 -8.87(-0.84)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[3-(butan-2-ylcarbamoyl)-2-methylanilino]-1-oxopropan-2-yl]-N-[2-fluoro-5-(2-methylbutanoylamino)phenyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)CN2CCC(CC2)C(=O)NCC(=O)NC3=C(C=CC(=C3)C(=O)NC4=CC=CC=C4)Cl)C(=O)NCC5=CC=C(C=C5)F

DOS

IR

Vibrations