Geometry & MOs

Info

ID:

111816

PubChem CID:

50382050

Reduced:

BrFO4N5C33H41 (1)

Stoich.:

ABC4D5E33F41 (1)

Weight, g/mol:

561.331505

ΔHf, kcal/mol:

-200.79

Dipole, Da:

8.62

IP(EA), eV:

 -9.06(-0.6)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[2-methyl-3-[(2-methylcyclohexyl)carbamoyl]anilino]-2-oxoethyl]-N-[3-(propanoylamino)phenyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)C(C)N2CCC(CC2)C(=O)N3CCCC3C(=O)NC4=C(C=C(C=C4)Br)F)C(=O)NC5CCCC5

DOS

IR

Vibrations