Geometry & MOs

Info

ID:	344772
PubChem CID:	127268360
Reduced:	O2S2N5C17H21 (1)
Stoich.:	A2B2C5D17E21 (1)
Weight, g/mol:	380.086449
ΔH_f, kcal/mol:	13.84
Dipole, Da:	4.73
IP(EA), eV:	-8.78(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=NN(C2=C1C=C(C=N2)S(=O)(=O)N3CCN(CC3)CC4=CC=CS4)C

DOS

IR

Vibrations