Geometry & MOs

Info

ID:

109135

PubChem CID:

50273867

Reduced:

ClFO4N5C37H37 (1)

Stoich.:

ABC4D5E37F37 (1)

Weight, g/mol:

587.290783

ΔHf, kcal/mol:

-158.97

Dipole, Da:

7.96

IP(EA), eV:

 -8.71(-0.82)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)NC(=O)C2CCN(CC2)C(C)C(=O)NC3=C(C=C(C=C3)C(=O)NC4=CC(=CC=C4)F)C)NC(=O)C5=CC(=CC=C5)Cl

DOS

IR

Vibrations