Geometry & MOs

Info

ID:	344721
PubChem CID:	127268309
Reduced:	N2S2O5C16H24 (1)
Stoich.:	A2B2C5D16E24 (1)
Weight, g/mol:	390.124943
ΔH_f, kcal/mol:	-188.44
Dipole, Da:	6.48
IP(EA), eV:	-8.39(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1)N2CCN(CC2)S(=O)(=O)C3CCS(=O)(=O)CC3

DOS

IR

Vibrations