Geometry & MOs

Info

ID:

105136

PubChem CID:

50106458

Reduced:

O3F4N4C30H30 (1)

Stoich.:

A3B4C4D30E30 (1)

Weight, g/mol:

573.275133

ΔHf, kcal/mol:

-289.47

Dipole, Da:

8.94

IP(EA), eV:

 -8.68(-0.8)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-(dimethylcarbamoyl)phenyl]-1-[2-[5-[(3-fluoro-4-methylphenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=CC(=C(C=C2)C)F)NC(=O)CN3CCC(CC3)C(=O)NC4=CC=C(C=C4)C(F)(F)F

DOS

IR

Vibrations