Geometry & MOs

Info

ID:	167169
PubChem CID:	74790380
Reduced:	SO2N4C20H27 (1)
Stoich.:	AB2C4D20E27 (1)
Weight, g/mol:	386.177647
ΔH_f, kcal/mol:	15.52
Dipole, Da:	5.33
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.004435
Charge, e:	0

Chem-info

IUPAC name:

1-[3-(1,3-benzodioxol-5-yl)pyrazolidin-4-yl]-N-methyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)methanamine

Drug info:

PubChemData

Smile

C[NH+](CC1CNNC1C2=CC3=C(C=C2)OCO3)CC4=NC5=C(S4)CCCC5

DOS

IR

Vibrations