Geometry & MOs

Info

ID:

101427

PubChem CID:

50064694

Reduced:

FN5O5C37H44 (1)

Stoich.:

AB5C5D37E44 (1)

Weight, g/mol:

617.301348

ΔHf, kcal/mol:

-227.25

Dipole, Da:

12.79

IP(EA), eV:

 -8.91(-0.41)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[5-(butan-2-ylcarbamoyl)-2-methoxyphenyl]-1-[2-[5-[(3-fluorophenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1CCCCC1NC(=O)C2=CC(=C(C=C2)OC)NC(=O)C3CCN(CC3)CC(=O)NC4=C(C=CC(=C4)C(=O)NC5=CC(=CC=C5)F)C

DOS

IR

Vibrations