Geometry & MOs

Info

ID:

101643

PubChem CID:

50064914

Reduced:

F4O4N5C33H33 (1)

Stoich.:

A4B4C5D33E33 (1)

Weight, g/mol:

657.237445

ΔHf, kcal/mol:

-296.25

Dipole, Da:

10.39

IP(EA), eV:

 -8.94(-0.63)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[2-[5-[(3,4-difluorophenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]piperidine-4-carbonyl]-N-(2,3,4-trifluorophenyl)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=C(C=CC=C5F)F

DOS

IR

Vibrations