Geometry & MOs

Info

ID:

90494

PubChem CID:

49970023

Reduced:

F2O3N4C29H36 (1)

Stoich.:

A2B3C4D29E36 (1)

Weight, g/mol:

644.368619

ΔHf, kcal/mol:

-204.11

Dipole, Da:

3.2

IP(EA), eV:

 -9.05(-0.58)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[2-[2-methyl-5-(4-methylpiperidine-1-carbonyl)anilino]-2-oxoethyl]piperidine-4-carbonyl]-N-[4-(propanoylamino)phenyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1CCN(CC1)C(=O)C2=CC(=C(C=C2)C)NC(=O)C(C)N3CCC(CC3)C(=O)NC4=C(C=CC=C4F)F

DOS

IR

Vibrations