Geometry & MOs

Info

ID:

108232

PubChem CID:

50236857

Reduced:

O5N6C41H46 (1)

Stoich.:

A5B6C41D46 (1)

Weight, g/mol:

587.290783

ΔHf, kcal/mol:

-156.82

Dipole, Da:

7.66

IP(EA), eV:

 -8.72(-0.64)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-(dimethylcarbamoyl)-6-methylphenyl]-1-[2-[4-[(5-fluoro-2-methylphenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=CC=CC=C2C)NC(=O)CCNC(=O)C3CCN(CC3)C(C)C(=O)NC4=C(C=C(C=C4)C(=O)NC5=CC=CC=C5)C

DOS

IR

Vibrations