Geometry & MOs

Info

ID:

104426

PubChem CID:

50104255

Reduced:

F4N5O5C35H37 (1)

Stoich.:

A4B5C5D35E37 (1)

Weight, g/mol:

570.259068

ΔHf, kcal/mol:

-360.53

Dipole, Da:

6.31

IP(EA), eV:

 -8.87(-0.91)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-(3-benzamidoanilino)-2-oxoethyl]-1-[2-(4-carbamoyl-2-methylanilino)-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=CC=CC=C2F)NC(=O)C(C)N3CCC(CC3)C(=O)N4CCCC4C(=O)NC5=CC=CC=C5OC(F)(F)F

DOS

IR

Vibrations