Geometry & MOs

Info

ID:	407251
PubChem CID:	135079644
Reduced:	FNSO3C22H24 (1)
Stoich.:	ABCD3E22F24 (1)
Weight, g/mol:	335.155515
ΔH_f, kcal/mol:	-91.25
Dipole, Da:	7.85
IP(EA), eV:	-9.38(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-hydroxyhex-2-ynyl)-4-methyl-N-(3-methylbut-2-enyl)benzenesulfonamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)N(CC=C(C)C)CC#CC(C2=CC=CC=C2F)O

DOS

IR

Vibrations