Geometry & MOs

Info

ID:	283028
PubChem CID:	103954037
Reduced:	BrSN2O2C9H9 (1)
Stoich.:	ABC2D2E9F9 (1)
Weight, g/mol:	253.111422
ΔH_f, kcal/mol:	-48.96
Dipole, Da:	3.65
IP(EA), eV:	-9.85(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-fluoro-N-[4-(hydroxymethyl)oxan-4-yl]benzamide

Drug info:

PubChemData

Smile

C1C(CNC1=O)NC(=O)C2=CC=C(S2)Br

DOS

IR

Vibrations