Geometry & MOs

Info

ID:

108651

PubChem CID:

50253021

Reduced:

F2O5N6C36H42 (1)

Stoich.:

A2B5C6D36E42 (1)

Weight, g/mol:

557.263819

ΔHf, kcal/mol:

-273.2

Dipole, Da:

10.75

IP(EA), eV:

 -8.76(-0.63)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-(2-methoxyanilino)-2-oxoethyl]-1-[2-[2-methyl-4-(phenylcarbamoyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations