Geometry & MOs

Info

ID:

111380

PubChem CID:

50363765

Reduced:

FO5N6C39H45 (1)

Stoich.:

AB5C6D39E45 (1)

Weight, g/mol:

678.352969

ΔHf, kcal/mol:

-214.87

Dipole, Da:

11.06

IP(EA), eV:

 -8.66(-0.85)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(4-benzamidophenyl)-1-[1-[2-[2-methyl-3-(piperidine-1-carbonyl)anilino]-2-oxoethyl]piperidine-4-carbonyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)NC2=CC=C(C=C2)F)NC(=O)C3CCCN3C(=O)C4CCN(CC4)CC(=O)NC5=CC=CC(=C5C)C(=O)N6CCCC6

DOS

IR

Vibrations