Geometry & MOs

Info

ID:

113585

PubChem CID:

50452043

Reduced:

F3O4N5H34C36 (1)

Stoich.:

A3B4C5D34E36 (1)

Weight, g/mol:

616.280946

ΔHf, kcal/mol:

-228.21

Dipole, Da:

6.75

IP(EA), eV:

 -9.07(-0.63)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-[2-fluoro-5-(propanoylamino)anilino]-2-oxoethyl]-1-[2-[2-methyl-3-(phenylcarbamoyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)CN2CCC(CC2)C(=O)NC3=CC=C(C=C3)C(=O)NCC4=CC=C(C=C4)F)C(=O)NC5=C(C=C(C=C5)F)F

DOS

IR

Vibrations