Geometry & MOs

Info

ID:

109239

PubChem CID:

50277842

Reduced:

F4O4N5H31C35 (1)

Stoich.:

A4B4C5D31E35 (1)

Weight, g/mol:

657.256289

ΔHf, kcal/mol:

-268.07

Dipole, Da:

11.34

IP(EA), eV:

 -9.02(-0.85)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[4-[(3,4-difluorophenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]-N-[2-fluoro-5-[(2-methylbenzoyl)amino]phenyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)NC2=CC(=C(C=C2)F)F)NC(=O)CN3CCC(CC3)C(=O)NC4=C(C=CC(=C4)NC(=O)C5=CC=CC=C5F)F

DOS

IR

Vibrations