Geometry & MOs

Info

ID:

102312

PubChem CID:

50066201

Reduced:

Cl2F2O3N4H28C29 (1)

Stoich.:

A2B2C3D4E28F29 (1)

Weight, g/mol:

556.209753

ΔHf, kcal/mol:

-178.97

Dipole, Da:

12.19

IP(EA), eV:

 -8.97(-0.72)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(2,4-difluorophenyl)-1-[1-[5-[(2,5-difluorophenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=C(C=CC(=C2)F)F)NC(=O)C(C)N3CCC(CC3)C(=O)NC4=C(C=C(C=C4)Cl)Cl

DOS

IR

Vibrations