Geometry & MOs

Info

ID:

93864

PubChem CID:

49997328

Reduced:

FN5O5C34H40 (1)

Stoich.:

AB5C5D34E40 (1)

Weight, g/mol:

541.245582

ΔHf, kcal/mol:

-218.1

Dipole, Da:

4.62

IP(EA), eV:

 -8.45(-0.6)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[5-(butan-2-ylcarbamoyl)-2-methylanilino]-2-oxoethyl]-N-[4-chloro-2-(methylcarbamoyl)phenyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCC(C)NC(=O)C1=CC(=C(C=C1)C)NC(=O)CN2CCC(CC2)C(=O)NC3=CC(=C(C=C3)NC(=O)C4=CC(=CC=C4)F)OC

DOS

IR

Vibrations