Geometry & MOs

Info

ID:

100924

PubChem CID:

50064176

Reduced:

ClF2N5O5C34H36 (1)

Stoich.:

AB2C5D5E34F36 (1)

Weight, g/mol:

645.312661

ΔHf, kcal/mol:

-253.01

Dipole, Da:

13.82

IP(EA), eV:

 -8.84(-0.65)

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-ethyl-6-methylphenyl)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(=C5)Cl)OC

DOS

IR

Vibrations