Geometry & MOs

Info

ID:

115575

PubChem CID:

50527599

Reduced:

Cl2O5N6C33H44 (1)

Stoich.:

A2B5C6D33E44 (1)

Weight, g/mol:

750.334125

ΔHf, kcal/mol:

-229.67

Dipole, Da:

11.48

IP(EA), eV:

 -8.92(-0.77)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[1-[3-[(2-fluorophenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carbonyl]-N-[4-[(2-fluorophenyl)carbamoyl]-2-methylphenyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CCN(CC)C(=O)C1=C(C=C(C=C1)Cl)NC(=O)CCNC(=O)C2CCN(CC2)C(C)C(=O)NC3=CC(=C(C=C3)Cl)C(=O)NC(C)C

DOS

IR

Vibrations