Geometry & MOs

Info

ID:

102450

PubChem CID:

50067388

Reduced:

ClFN5O5C36H41 (1)

Stoich.:

ABC5D5E36F41 (1)

Weight, g/mol:

627.322083

ΔHf, kcal/mol:

-215.41

Dipole, Da:

7.72

IP(EA), eV:

 -8.7(-0.36)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations