Geometry & MOs

Info

ID:

115480

PubChem CID:

50524633

Reduced:

FO5N6C41H49 (1)

Stoich.:

AB5C6D41E49 (1)

Weight, g/mol:

684.343547

ΔHf, kcal/mol:

-227.64

Dipole, Da:

5.23

IP(EA), eV:

 -8.86(-0.52)

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-(propylcarbamoyl)phenyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1CCCN(C1)C(=O)C2=CC=C(C=C2)NC(=O)C3CCCN3C(=O)C4CCN(CC4)C(C)C(=O)NC5=CC=CC(=C5C)C(=O)NC6=CC=CC=C6F

DOS

IR

Vibrations