Geometry & MOs

Info

ID:

98522

PubChem CID:

50044777

Reduced:

F2N6O6C39H48 (1)

Stoich.:

A2B6C6D39E48 (1)

Weight, g/mol:

645.332648

ΔHf, kcal/mol:

-314.75

Dipole, Da:

5.42

IP(EA), eV:

 -8.85(-0.53)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[5-[(4-fluoro-2-methylphenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]-N-[4-methoxy-3-(2-methylbutanoylamino)phenyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCCNC(=O)C1=CC(=C(C=C1)OC)NC(=O)C(C(C)C)NC(=O)C2CCN(CC2)C(C)C(=O)NC3=C(C=CC(=C3)C(=O)NC4=C(C=C(C=C4)F)F)C

DOS

IR

Vibrations