Geometry & MOs

Info

ID:

97264

PubChem CID:

50029375

Reduced:

F2O4N5H35C36 (1)

Stoich.:

A2B4C5D35E36 (1)

Weight, g/mol:

657.256289

ΔHf, kcal/mol:

-185.47

Dipole, Da:

13.61

IP(EA), eV:

 -8.69(-0.63)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[5-[(2,5-difluorophenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]-N-[3-[(4-fluorobenzoyl)amino]-4-methylphenyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=C(C=CC(=C2)F)F)NC(=O)CN3CCC(CC3)C(=O)NC4=CC(=C(C=C4)C)NC(=O)C5=CC=CC=C5

DOS

IR

Vibrations