Geometry & MOs

Info

ID:

111341

PubChem CID:

50362584

Reduced:

FO5N6C39H45 (1)

Stoich.:

AB5C6D39E45 (1)

Weight, g/mol:

551.290783

ΔHf, kcal/mol:

-212.89

Dipole, Da:

3.04

IP(EA), eV:

 -8.82(-0.48)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(3-acetamido-4-fluorophenyl)-1-[1-[2-methyl-3-(piperidine-1-carbonyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)C2CCCN2C(=O)C3CCN(CC3)CC(=O)NC4=CC=CC(=C4C)C(=O)N5CCCC5)C(=O)NC6=CC=CC=C6F

DOS

IR

Vibrations