Geometry & MOs

Info

ID:

112811

PubChem CID:

50421170

Reduced:

ClF2O4N5H34C36 (1)

Stoich.:

AB2C4D5E34F36 (1)

Weight, g/mol:

581.303576

ΔHf, kcal/mol:

-190.47

Dipole, Da:

8.55

IP(EA), eV:

 -8.87(-0.85)

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-[3-(3-methylsulfanylanilino)-3-oxopropyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)C(C)N2CCC(CC2)C(=O)NC3=CC=CC(=C3)NC(=O)C4=CC(=CC=C4)Cl)C(=O)NC5=C(C=CC(=C5)F)F

DOS

IR

Vibrations