Geometry & MOs

Info

ID:

114448

PubChem CID:

50483185

Reduced:

BrFO3N4C29H30 (1)

Stoich.:

ABC3D4E29F30 (1)

Weight, g/mol:

601.306433

ΔHf, kcal/mol:

-116.53

Dipole, Da:

8.62

IP(EA), eV:

 -8.84(-0.48)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[3-[(4-fluorophenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]-N-[2-methyl-3-(propylcarbamoyl)phenyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)C(C)N2CCC(CC2)C(=O)NC3=CC=CC=C3Br)C(=O)NC4=CC=C(C=C4)F

DOS

IR

Vibrations