Geometry & MOs

Info

ID:

98559

PubChem CID:

50045028

Reduced:

F3N5O5H34C36 (1)

Stoich.:

A3B5C5D34E36 (1)

Weight, g/mol:

609.256289

ΔHf, kcal/mol:

-255.45

Dipole, Da:

9.27

IP(EA), eV:

 -8.92(-0.53)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[5-[(2,6-difluorophenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]-N-[4-fluoro-3-(2-methylpropanoylamino)phenyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=C(C=CC=C2F)F)NC(=O)CN3CCC(CC3)C(=O)NC4=CC(=C(C=C4)F)NC(=O)C5=CC=CC=C5OC

DOS

IR

Vibrations