Geometry & MOs

Info

ID:	344670
PubChem CID:	127268258
Reduced:	NSF2O3C12H15 (1)
Stoich.:	ABC2D3E12F15 (1)
Weight, g/mol:	390.124943
ΔH_f, kcal/mol:	-197.79
Dipole, Da:	4.53
IP(EA), eV:	-9.55(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2,3-dihydro-1,4-benzodioxin-5-ylsulfonyl)-4-(2-methoxyphenyl)piperazine

Drug info:

PubChemData

Smile

CC1CN(CC(O1)C)S(=O)(=O)C2=CC=CC(=C2F)F

DOS

IR

Vibrations