Geometry & MOs

Info

ID:

114030

PubChem CID:

50468558

Reduced:

F3O4N5H36C37 (1)

Stoich.:

A3B4C5D36E37 (1)

Weight, g/mol:

645.312661

ΔHf, kcal/mol:

-234.05

Dipole, Da:

5.64

IP(EA), eV:

 -8.83(-0.89)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[5-(cyclohexanecarbonylamino)-2-fluorophenyl]-1-[2-[3-[(5-fluoro-2-methylphenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)F)NC(=O)C2=C(C(=CC=C2)NC(=O)CN3CCC(CC3)C(=O)NC4=C(C=CC(=C4)NC(=O)CC5=CC=C(C=C5)F)F)C

DOS

IR

Vibrations