Geometry & MOs

Info

ID:

101456

PubChem CID:

50064725

Reduced:

F2N5O6C35H37 (1)

Stoich.:

A2B5C6D35E37 (1)

Weight, g/mol:

699.1668

ΔHf, kcal/mol:

-278.06

Dipole, Da:

14.04

IP(EA), eV:

 -8.45(-0.67)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(4-bromo-2-fluorophenyl)-1-[1-[2-[5-[(3,4-difluorophenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]piperidine-4-carbonyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=CC(=C(C=C2)F)F)NC(=O)CN3CCC(CC3)C(=O)N4CCCC4C(=O)NC5=CC6=C(C=C5)OCCO6

DOS

IR

Vibrations