Geometry & MOs

Info

ID:

114099

PubChem CID:

50471552

Reduced:

FN3O3C20H21 (2)

Stoich.:

AB3C3D20E21 (2)

Weight, g/mol:

728.293403

ΔHf, kcal/mol:

-269.23

Dipole, Da:

5.72

IP(EA), eV:

 -8.66(-0.45)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-[4-fluoro-3-[(2-fluorobenzoyl)amino]anilino]-2-oxoethyl]-1-[1-[3-[(2-fluoro-4-methylphenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)NC(=O)C2=C(C(=CC=C2)NC(=O)C(C)N3CCC(CC3)C(=O)NCC(=O)NC4=CC(=C(C=C4)F)NC(=O)C5=CC=C(C=C5)OC)C)F

DOS

IR

Vibrations