Geometry & MOs

Info

ID:

101833

PubChem CID:

50065108

Reduced:

ClF2O5N6C39H43 (1)

Stoich.:

AB2C5D6E39F43 (1)

Weight, g/mol:

762.310803

ΔHf, kcal/mol:

-270.37

Dipole, Da:

10.81

IP(EA), eV:

 -8.97(-0.67)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-chloro-5-(4-methylpiperidine-1-carbonyl)phenyl]-1-[1-[2-[5-[(3,4-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=CC(=C(C=C2)F)F)NC(=O)CN3CCC(CC3)C(=O)N4CCCC4C(=O)NC5=C(C=CC(=C5)C(=O)N6CCCCC6)Cl

DOS

IR

Vibrations