Geometry & MOs

Info

ID:

100076

PubChem CID:

50058032

Reduced:

ClF2N6O6C39H43 (1)

Stoich.:

AB2C6D6E39F43 (1)

Weight, g/mol:

708.263852

ΔHf, kcal/mol:

-303.56

Dipole, Da:

7.31

IP(EA), eV:

 -8.83(-1.16)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[5-chloro-2-(methylcarbamoyl)phenyl]-1-[1-[1-[5-[(2,4-difluorophenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carbonyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=C(C=C(C=C2)F)F)NC(=O)C(C)N3CCC(CC3)C(=O)N4CCCC4C(=O)NC5=C(C=CC(=C5)Cl)C(=O)N6CCOCC6

DOS

IR

Vibrations