Geometry & MOs

Info

ID:	345001
PubChem CID:	127268761
Reduced:	O2S2N3C15H25 (1)
Stoich.:	A2B2C3D15E25 (1)
Weight, g/mol:	381.081698
ΔH_f, kcal/mol:	-67.19
Dipole, Da:	4.02
IP(EA), eV:	-8.79(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[4-(2,3-dihydro-1,4-benzodioxin-5-ylsulfonyl)piperazin-1-yl]methyl]-1,3-thiazole

Drug info:

PubChemData

Smile

C1CCC(CC1)CS(=O)(=O)N2CCN(CC2)CC3=CSC=N3

DOS

IR

Vibrations