Geometry & MOs

Info

ID:	407250
PubChem CID:	135079643
Reduced:	BrFON2H4C7 (1)
Stoich.:	ABCD2E4F7 (1)
Weight, g/mol:	401.146093
ΔH_f, kcal/mol:	0.41
Dipole, Da:	3.71
IP(EA), eV:	-9.3(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-(2-fluorophenyl)-4-hydroxybut-2-ynyl]-4-methyl-N-(3-methylbut-2-enyl)benzenesulfonamide

Drug info:

PubChemData

Smile

C1=CC(=C2C(=C1F)ON=C2N)Br

DOS

IR

Vibrations