Geometry & MOs

Info

ID:

108534

PubChem CID:

50248768

Reduced:

F4O4N5C32H33 (1)

Stoich.:

A4B4C5D32E33 (1)

Weight, g/mol:

605.281361

ΔHf, kcal/mol:

-300.48

Dipole, Da:

10.4

IP(EA), eV:

 -8.68(-1.02)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-(5-fluoro-2-methylanilino)-2-oxoethyl]-1-[1-[4-[(4-fluoro-2-methylphenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)NC2=C(C=C(C=C2)F)C)NC(=O)C(C)N3CCC(CC3)C(=O)NCC(=O)NC4=C(C(=C(C=C4)F)F)F

DOS

IR

Vibrations