Geometry & MOs

Info

ID:

113488

PubChem CID:

50447805

Reduced:

F2N6O6C41H44 (1)

Stoich.:

A2B6C6D41E44 (1)

Weight, g/mol:

652.262103

ΔHf, kcal/mol:

-269.52

Dipole, Da:

8.72

IP(EA), eV:

 -8.8(-0.65)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-(3-acetamido-4-fluoroanilino)-3-oxopropyl]-1-[2-[3-[(2,6-difluorophenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)CN2CCC(CC2)C(=O)NC(C(C)C)C(=O)NC3=C(C=CC(=C3)C(=O)NC4=CC=CC=C4)OC)C(=O)NC5=C(C=CC=C5F)F

DOS

IR

Vibrations