Geometry & MOs

Info

ID:

104195

PubChem CID:

50096572

Reduced:

F3N5O5H34C36 (1)

Stoich.:

A3B5C5D34E36 (1)

Weight, g/mol:

609.256289

ΔHf, kcal/mol:

-254.51

Dipole, Da:

15.3

IP(EA), eV:

 -8.89(-0.72)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[5-[(3,4-difluorophenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]-N-[2-fluoro-5-(2-methylpropanoylamino)phenyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=CC(=C(C=C2)F)F)NC(=O)CN3CCC(CC3)C(=O)NC4=C(C=CC(=C4)NC(=O)C5=CC(=CC=C5)OC)F

DOS

IR

Vibrations