Geometry & MOs

Info

ID:

108688

PubChem CID:

50254701

Reduced:

F3O4N5H32C35 (1)

Stoich.:

A3B4C5D32E35 (1)

Weight, g/mol:

657.256289

ΔHf, kcal/mol:

-219.8

Dipole, Da:

8.62

IP(EA), eV:

 -8.88(-0.78)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[4-[(2,4-difluorophenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]-N-[4-[(2-fluoro-4-methylphenyl)carbamoyl]phenyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)NC2=C(C=C(C=C2)F)F)NC(=O)CN3CCC(CC3)C(=O)NC4=CC=C(C=C4)C(=O)NC5=CC=C(C=C5)F

DOS

IR

Vibrations