Geometry & MOs

Info

ID:

99686

PubChem CID:

50054112

Reduced:

ClFO3N4C31H34 (1)

Stoich.:

ABC3D4E31F34 (1)

Weight, g/mol:

573.275133

ΔHf, kcal/mol:

-146.63

Dipole, Da:

14.13

IP(EA), eV:

 -8.48(-0.48)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(4-acetamidophenyl)-1-[1-[5-[(4-fluoro-2-methylphenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=C(C=C(C=C2)F)C)NC(=O)C(C)N3CCC(CC3)C(=O)NC4=C(C=C(C=C4)Cl)C

DOS

IR

Vibrations