Geometry & MOs

Info

ID:

115713

PubChem CID:

50531948

Reduced:

ClFO4N5C30H31 (1)

Stoich.:

ABC4D5E30F31 (1)

Weight, g/mol:

593.22051

ΔHf, kcal/mol:

-171.51

Dipole, Da:

7.77

IP(EA), eV:

 -9.0(-0.91)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-(3-carbamoyl-4-chloroanilino)-1-oxopropan-2-yl]-N-[2-[(2-fluoro-4-methylphenyl)carbamoyl]-6-methylphenyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)C(=O)NC2=CC=C(C=C2)F)NC(=O)C3CCN(CC3)C(C)C(=O)NC4=CC(=C(C=C4)Cl)C(=O)N

DOS

IR

Vibrations