Geometry & MOs

Info

ID:	278771
PubChem CID:	103837925
Reduced:	FNSO5C13H16 (1)
Stoich.:	ABCD5E13F16 (1)
Weight, g/mol:	338.99401
ΔH_f, kcal/mol:	-211.9
Dipole, Da:	4.9
IP(EA), eV:	-9.98(-1.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-bromo-3-fluoro-N-(3-hydroxybutyl)-N-methylbenzenesulfonamide

Drug info:

PubChemData

Smile

COC(=O)C1=C(C=C(C=C1)F)S(=O)(=O)NCC(C2CC2)O

DOS

IR

Vibrations