Geometry & MOs

Info

ID:

113965

PubChem CID:

50466363

Reduced:

O5N6C42H46 (1)

Stoich.:

A5B6C42D46 (1)

Weight, g/mol:

601.270047

ΔHf, kcal/mol:

-148.02

Dipole, Da:

5.16

IP(EA), eV:

 -8.2(-0.37)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[3-[(2-fluorophenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]-N-[2-(morpholine-4-carbonyl)phenyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1C(=O)NC2=CC=C(C=C2)NC(=O)C3CCCN3C(=O)C4CCN(CC4)CC(=O)NC5=CC=CC(=C5C)C(=O)NC6=CC=CC=C6C

DOS

IR

Vibrations