Geometry & MOs

Info

ID:

98358

PubChem CID:

50043070

Reduced:

F2O5N6C36H42 (1)

Stoich.:

A2B5C6D36E42 (1)

Weight, g/mol:

598.13911

ΔHf, kcal/mol:

-276.55

Dipole, Da:

9.49

IP(EA), eV:

 -8.92(-0.63)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(4-bromo-2-fluorophenyl)-1-[2-[5-[(4-fluoro-2-methylphenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCCNC(=O)C1=C(C(=CC=C1)NC(=O)CCNC(=O)C2CCN(CC2)CC(=O)NC3=C(C=CC(=C3)C(=O)NC4=C(C=C(C=C4)F)F)C)C

DOS

IR

Vibrations