Geometry & MOs

Info

ID:

102291

PubChem CID:

50066031

Reduced:

F3O3N4H27C28 (1)

Stoich.:

A3B3C4D27E28 (1)

Weight, g/mol:

658.327897

ΔHf, kcal/mol:

-202.79

Dipole, Da:

8.04

IP(EA), eV:

 -8.99(-0.58)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-[4-(butan-2-ylcarbamoyl)anilino]-3-oxopropyl]-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)NC4=C(C=CC=C4F)F

DOS

IR

Vibrations