Geometry & MOs

Info

ID:

120565

PubChem CID:

50734359

Reduced:

FO5N6C37H43 (1)

Stoich.:

AB5C6D37E43 (1)

Weight, g/mol:

668.332233

ΔHf, kcal/mol:

-213.86

Dipole, Da:

3.92

IP(EA), eV:

 -8.97(-0.62)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1CCCN(C1)C(=O)C2=CC=CC=C2NC(=O)CN3CCC(CC3)C(=O)NCC(=O)NC4=C(C=C(C=C4)C(=O)NC5=CC(=CC=C5)F)C

DOS

IR

Vibrations