Geometry & MOs

Info

ID:

107936

PubChem CID:

50224636

Reduced:

F3O4N5H34C36 (1)

Stoich.:

A3B4C5D34E36 (1)

Weight, g/mol:

634.384269

ΔHf, kcal/mol:

-227.63

Dipole, Da:

10.32

IP(EA), eV:

 -8.56(-0.74)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[4-(butan-2-ylcarbamoyl)-2-methylanilino]-2-oxoethyl]-N-[3-[4-methyl-3-(2-methylbutanoylamino)anilino]-3-oxopropyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)NC2=C(C=CC(=C2)F)F)NC(=O)CN3CCC(CC3)C(=O)NC4=CC(=C(C=C4)NC(=O)C5=CC=C(C=C5)F)C

DOS

IR

Vibrations