Geometry & MOs

Info

ID:	176298
PubChem CID:	76030089
Reduced:	FN2O5C16H19 (1)
Stoich.:	AB2C5D16E19 (1)
Weight, g/mol:	454.137399
ΔH_f, kcal/mol:	-233.78
Dipole, Da:	6.77
IP(EA), eV:	-8.78(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-fluoro-N-[2-[5-[(2-fluorophenyl)sulfonylamino]-6-(hydroxymethyl)oxan-2-yl]ethyl]benzamide

Drug info:

PubChemData

Smile

COC(=O)CC1C=CC(C(O1)CO)NC(=O)NC2=CC=C(C=C2)F

DOS

IR

Vibrations