Geometry & MOs

Info

ID:

101384

PubChem CID:

50064650

Reduced:

FN6O6C38H39 (1)

Stoich.:

AB6C6D38E39 (1)

Weight, g/mol:

682.271525

ΔHf, kcal/mol:

-214.14

Dipole, Da:

6.28

IP(EA), eV:

 -8.55(-0.51)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-[4-[(2-fluorobenzoyl)amino]anilino]-2-oxoethyl]-1-[2-[5-[(3-fluorophenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations