Geometry & MOs

Info

ID:

135217

PubChem CID:

51835534

Reduced:

NO3C14H15 (2)

Stoich.:

AB3C14D15 (2)

Weight, g/mol:

520.257337

ΔHf, kcal/mol:

-186.03

Dipole, Da:

2.98

IP(EA), eV:

 -8.85(-0.72)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[(1S)-1-(1,3-benzodioxol-5-yl)-2-oxo-2-(2,4,4-trimethylpentan-2-ylamino)ethyl]-2-hydroxy-N-[(5-methylfuran-2-yl)methyl]benzamide

Drug info:

PubChemData

Smile

CC1=CC=C(O1)CN([C@H](C2=CC3=C(C=C2)OCO3)C(=O)NC4CCCCC4)C(=O)C5=CC=CC=C5O

DOS

IR

Vibrations