Geometry & MOs

Info

ID:

112798

PubChem CID:

50420737

Reduced:

F4O4N5H35C37 (1)

Stoich.:

A4B4C5D35E37 (1)

Weight, g/mol:

657.256289

ΔHf, kcal/mol:

-274.74

Dipole, Da:

6.19

IP(EA), eV:

 -9.13(-0.82)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[3-[(2,5-difluorophenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]-N-[4-[(3-fluorobenzoyl)amino]phenyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)C2CCN(CC2)C(C)C(=O)NC3=CC=CC(=C3C)C(=O)NC4=C(C=CC(=C4)F)F)C(=O)NC5=C(C=CC(=C5)F)F

DOS

IR

Vibrations