Geometry & MOs

Info

ID:

97712

PubChem CID:

50034025

Reduced:

FN6O6C44H49 (1)

Stoich.:

AB6C6D44E49 (1)

Weight, g/mol:

678.296597

ΔHf, kcal/mol:

-235.78

Dipole, Da:

7.85

IP(EA), eV:

 -8.02(-0.41)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C(=O)NC2=C(C=CC(=C2)NC(=O)C3CCCN3C(=O)C4CCN(CC4)C(C)C(=O)NC5=C(C=CC(=C5)C(=O)NCC6=CC=C(C=C6)F)C)OC

DOS

IR

Vibrations