Geometry & MOs

Info

ID:

101429

PubChem CID:

50064696

Reduced:

FN5O5C31H34 (1)

Stoich.:

AB5C5D31E34 (1)

Weight, g/mol:

643.240639

ΔHf, kcal/mol:

-199.27

Dipole, Da:

10.05

IP(EA), eV:

 -8.92(-0.64)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-fluoro-5-[(3-fluorobenzoyl)amino]phenyl]-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)NC4=C(C=CC(=C4)C(=O)NC)OC

DOS

IR

Vibrations