Geometry & MOs

Info

ID:

118027

PubChem CID:

50624923

Reduced:

ClF2O5N6C40H41 (1)

Stoich.:

AB2C5D6E40F41 (1)

Weight, g/mol:

690.273274

ΔHf, kcal/mol:

-244.91

Dipole, Da:

8.81

IP(EA), eV:

 -8.68(-0.79)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[1-(5-carbamoyl-2-chloroanilino)-1-oxopropan-2-yl]piperidine-4-carbonyl]-N-[5-[(4-fluoro-2-methylphenyl)carbamoyl]-2-methylphenyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1NC(=O)C2=C(C=CC(=C2)NC(=O)C(C)N3CCC(CC3)C(=O)NC(C)C(=O)NC4=C(C=C(C=C4)C(=O)NC5=C(C=C(C=C5)F)F)C)Cl

DOS

IR

Vibrations