Geometry & MOs

Info

ID:	443128
PubChem CID:	135257781
Reduced:	FON2C13H21 (1)
Stoich.:	ABC2D13E21 (1)
Weight, g/mol:	597.135683
ΔH_f, kcal/mol:	5.61
Dipole, Da:	2.62
IP(EA), eV:	-9.56(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N,2-dihydroxy-4-[[4-(oxan-4-yl)phenyl]methyl-[2-[(2,3,4,5,6-pentafluorophenyl)sulfanylamino]acetyl]amino]benzamide

Drug info:

PubChemData

Smile

CC/C=C(\C=NC(=N)COF)/C1CCCCC1

DOS

IR

Vibrations