Geometry & MOs

Info

ID:	280445
PubChem CID:	103849332
Reduced:	NSO3C14H17 (1)
Stoich.:	ABC3D14E17 (1)
Weight, g/mol:	253.111422
ΔH_f, kcal/mol:	-117.82
Dipole, Da:	2.39
IP(EA), eV:	-8.79(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-fluoro-N-[(3-hydroxyoxolan-3-yl)methyl]-2-methylbenzamide

Drug info:

PubChemData

Smile

C1COCC1(CNC(=O)C2CC3=CC=CC=C3S2)O

DOS

IR

Vibrations