Geometry & MOs

Info

ID:	353780
PubChem CID:	127285416
Reduced:	NO2S2C10H21 (1)
Stoich.:	AB2C2D10E21 (1)
Weight, g/mol:	289.060649
ΔH_f, kcal/mol:	-108.62
Dipole, Da:	3.45
IP(EA), eV:	-8.65(0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2-fluoro-4-methylphenyl)sulfonyl-1,4-thiazepane

Drug info:

PubChemData

Smile

CC(C)CCS(=O)(=O)N1CCCSCC1

DOS

IR

Vibrations