Geometry & MOs

Info

ID:	344677
PubChem CID:	127268265
Reduced:	NSO2C8H12 (2)
Stoich.:	ABC2D8E12 (2)
Weight, g/mol:	360.114378
ΔH_f, kcal/mol:	-150.06
Dipole, Da:	7.23
IP(EA), eV:	-9.0(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CS(=O)(=O)CCC1S(=O)(=O)N2CCN(CC2)CC3=CC=CC=C3

DOS

IR

Vibrations