Geometry & MOs

Info

ID:

105462

PubChem CID:

50110961

Reduced:

ClFO5N6H36C37 (1)

Stoich.:

ABC5D6E36F37 (1)

Weight, g/mol:

670.327897

ΔHf, kcal/mol:

-173.28

Dipole, Da:

8.36

IP(EA), eV:

 -8.89(-1.13)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=CC=CC=C2F)NC(=O)CN3CCC(CC3)C(=O)NCC(=O)NC4=C(C=CC(=C4)C(=O)NC5=CC=CC=C5)Cl

DOS

IR

Vibrations