Geometry & MOs

Info

ID:

120543

PubChem CID:

50732642

Reduced:

ClO5N6C36H43 (1)

Stoich.:

AB5C6D36E43 (1)

Weight, g/mol:

656.312247

ΔHf, kcal/mol:

-171.04

Dipole, Da:

6.12

IP(EA), eV:

 -8.84(-0.95)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-[(2-fluorophenyl)carbamoyl]phenyl]-1-[1-[2-oxo-2-[2-(propylcarbamoyl)anilino]ethyl]piperidine-4-carbonyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC(C)C(C(=O)NC1=C(C=CC(=C1)Cl)C(=O)NC2=CC=CC=C2)NC(=O)C3CCN(CC3)C(C)C(=O)NC4=CC=CC=C4C(=O)N(C)C

DOS

IR

Vibrations