Geometry & MOs

Info

ID:

108762

PubChem CID:

50257730

Reduced:

F2O5N6C38H38 (1)

Stoich.:

A2B5C6D38E38 (1)

Weight, g/mol:

692.312247

ΔHf, kcal/mol:

-218.85

Dipole, Da:

12.53

IP(EA), eV:

 -8.68(-0.72)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)NC2=CC=CC=C2)NC(=O)CN3CCC(CC3)C(=O)NCC(=O)NC4=CC=CC(=C4C)C(=O)NC5=C(C=CC=C5F)F

DOS

IR

Vibrations