Geometry & MOs

Info

ID:	211667
PubChem CID:	81049319
Reduced:	NSF2C11H11 (1)
Stoich.:	ABC2D11E11 (1)
Weight, g/mol:	289.01137
ΔH_f, kcal/mol:	-63.21
Dipole, Da:	1.44
IP(EA), eV:	-8.63(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-2-fluoro-N-(4-hydroxybutan-2-yl)benzamide

Drug info:

PubChemData

Smile

CC1=C(SC2=C(C=CC(=C12)F)F)CNC

DOS

IR

Vibrations