Geometry & MOs

Info

ID:

110708

PubChem CID:

50337048

Reduced:

F4N4O4H28C29 (1)

Stoich.:

A4B4C4D28E29 (1)

Weight, g/mol:

555.261232

ΔHf, kcal/mol:

-312.46

Dipole, Da:

6.47

IP(EA), eV:

 -8.91(-0.87)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-(3-chloroanilino)-2-oxoethyl]-1-[1-[2-methyl-3-(2-methylpropylcarbamoyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)NC2=CC=CC=C2F)NC(=O)CN3CCC(CC3)C(=O)NC4=CC=CC=C4OC(F)(F)F

DOS

IR

Vibrations