Geometry & MOs

Info

ID:

101105

PubChem CID:

50064363

Reduced:

Cl2F2O4N5C33H33 (1)

Stoich.:

A2B2C4D5E33F33 (1)

Weight, g/mol:

637.226739

ΔHf, kcal/mol:

-219.21

Dipole, Da:

11.09

IP(EA), eV:

 -9.05(-0.66)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(2-chlorophenyl)-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=CC(=C(C=C5)Cl)Cl

DOS

IR

Vibrations