Geometry & MOs

Info

ID:

100263

PubChem CID:

50059562

Reduced:

F2O5N6C43H46 (1)

Stoich.:

A2B5C6D43E46 (1)

Weight, g/mol:

585.295119

ΔHf, kcal/mol:

-247.44

Dipole, Da:

15.52

IP(EA), eV:

 -8.53(-1.0)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-methoxy-4-(2-methylpropanoylamino)phenyl]-1-[2-[2-methyl-5-(phenylcarbamoyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)C(=O)NC2=CC(=CC=C2)F)NC(=O)C3CCCN3C(=O)C4CCN(CC4)C(C)C(=O)NC5=C(C=CC(=C5)C(=O)NC6=C(C=C(C=C6)F)C)C

DOS

IR

Vibrations