Geometry & MOs

Info

ID:

104018

PubChem CID:

50086916

Reduced:

FO5N6C39H41 (1)

Stoich.:

AB5C6D39E41 (1)

Weight, g/mol:

710.302825

ΔHf, kcal/mol:

-190.24

Dipole, Da:

14.2

IP(EA), eV:

 -8.77(-0.67)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[4-[(4-fluorophenyl)carbamoyl]anilino]-1-oxopropan-2-yl]-1-[1-[5-[(3-fluorophenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=CC(=CC=C2)F)NC(=O)C(C)N3CCC(CC3)C(=O)NC(C)C(=O)NC4=CC=C(C=C4)C(=O)NC5=CC=CC=C5

DOS

IR

Vibrations