Geometry & MOs

Info

ID:

114994

PubChem CID:

50505225

Reduced:

FO3N4C33H39 (1)

Stoich.:

AB3C4D33E39 (1)

Weight, g/mol:

594.16418

ΔHf, kcal/mol:

-151.8

Dipole, Da:

6.43

IP(EA), eV:

 -8.76(-0.31)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC1=CC=CC(=C1NC(=O)C2CCN(CC2)C(C)C(=O)NC3=CC=CC(=C3C)C(=O)NC4=CC(=C(C=C4)C)F)C

DOS

IR

Vibrations