Geometry & MOs

Info

ID:

102269

PubChem CID:

50065770

Reduced:

FN3O3C19H19 (2)

Stoich.:

AB3C3D19E19 (2)

Weight, g/mol:

696.287175

ΔHf, kcal/mol:

-256.74

Dipole, Da:

9.19

IP(EA), eV:

 -9.01(-0.81)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-[2-fluoro-5-[(3-methylbenzoyl)amino]anilino]-2-oxoethyl]-1-[2-[5-[(3-fluorophenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations