Geometry & MOs

Info

ID:

97745

PubChem CID:

50034356

Reduced:

ClF2O4N5C33H34 (1)

Stoich.:

AB2C4D5E33F34 (1)

Weight, g/mol:

651.242389

ΔHf, kcal/mol:

-219.38

Dipole, Da:

6.33

IP(EA), eV:

 -8.88(-0.71)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(3-chloro-4-methylphenyl)-1-[1-[2-[5-[(2,5-difluorophenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]piperidine-4-carbonyl]pyrrolidine-2-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)N4CCCC4C(=O)NC5=CC=C(C=C5)Cl

DOS

IR

Vibrations