Geometry & MOs

Info

ID:	344791
PubChem CID:	127268412
Reduced:	SN2O4C20H24 (1)
Stoich.:	AB2C4D20E24 (1)
Weight, g/mol:	388.145678
ΔH_f, kcal/mol:	-102.66
Dipole, Da:	6.36
IP(EA), eV:	-8.5(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CN(CCN(C1)S(=O)(=O)C2=CC=CC3=C2OCCO3)CC4=CC=CC=C4

DOS

IR

Vibrations