Geometry & MOs

Info

ID:

115665

PubChem CID:

50530393

Reduced:

ClFO5N6C30H38 (1)

Stoich.:

ABC5D6E30F38 (1)

Weight, g/mol:

676.257624

ΔHf, kcal/mol:

-249.89

Dipole, Da:

5.87

IP(EA), eV:

 -8.95(-0.52)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[2-(3-carbamoyl-4-chloroanilino)-2-oxoethyl]piperidine-4-carbonyl]-N-[5-[(5-fluoro-2-methylphenyl)carbamoyl]-2-methylphenyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CCC(=O)NC1=C(C=CC(=C1)NC(=O)C(C)NC(=O)C2CCN(CC2)C(C)C(=O)NC3=CC(=C(C=C3)Cl)C(=O)N(C)C)F

DOS

IR

Vibrations