Geometry & MOs

Info

ID:

100626

PubChem CID:

50063227

Reduced:

F2O5N6C40H48 (1)

Stoich.:

A2B5C6D40E48 (1)

Weight, g/mol:

587.290783

ΔHf, kcal/mol:

-278.97

Dipole, Da:

4.07

IP(EA), eV:

 -8.72(-0.36)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[5-[(3-fluorophenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]-N-[4-(2-methylbutanoylamino)phenyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)NC(=O)C2=CC(=C(C=C2)C)NC(=O)C(C)N3CCC(CC3)C(=O)NCCC(=O)NC4=C(C=CC(=C4)NC(=O)C5CCCCC5)F)F

DOS

IR

Vibrations