Geometry & MOs

Info

ID:	291392
PubChem CID:	112293364
Reduced:	FNSO2C16H16 (1)
Stoich.:	ABCD2E16F16 (1)
Weight, g/mol:	303.02702
ΔH_f, kcal/mol:	-90.52
Dipole, Da:	4.1
IP(EA), eV:	-9.16(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-bromo-5-fluoro-N-(2-hydroxy-3-methylbutyl)benzamide

Drug info:

PubChemData

Smile

C1CC2=C(C1)SC(=C2)C(=O)NCC(C3=CC=C(C=C3)F)O

DOS

IR

Vibrations