Geometry & MOs

Info

ID:	207798
PubChem CID:	80450424
Reduced:	NSF2O2C13H19 (1)
Stoich.:	ABC2D2E13F19 (1)
Weight, g/mol:	285.103479
ΔH_f, kcal/mol:	-174.5
Dipole, Da:	5.54
IP(EA), eV:	-9.07(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-3-methylbutan-2-amine

Drug info:

PubChemData

Smile

CCC(C)C(CS(=O)(=O)C1=C(C=C(C=C1)F)F)NC

DOS

IR

Vibrations