Geometry & MOs

Info

ID:	246657
PubChem CID:	103064505
Reduced:	NOSC7H9 (2)
Stoich.:	ABCD7E9 (2)
Weight, g/mol:	314.055898
ΔH_f, kcal/mol:	-29.0
Dipole, Da:	4.57
IP(EA), eV:	-8.71(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(3-aminoprop-1-ynyl)-2-fluoro-N-(thiolan-3-yl)benzenesulfonamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C#CCN)S(=O)(=O)NC2CCSC2

DOS

IR

Vibrations