Geometry & MOs

Info

ID:

97441

PubChem CID:

50031731

Reduced:

F3O4N5H34C36 (1)

Stoich.:

A3B4C5D34E36 (1)

Weight, g/mol:

598.290368

ΔHf, kcal/mol:

-226.57

Dipole, Da:

9.92

IP(EA), eV:

 -8.94(-0.74)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-(5-carbamoyl-2-methylanilino)-3-oxopropyl]-1-[2-[2-methyl-5-(phenylcarbamoyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=C(C=C(C=C2)F)F)NC(=O)CN3CCC(CC3)C(=O)NC4=CC=CC=C4C(=O)NCC5=CC=C(C=C5)F

DOS

IR

Vibrations