Geometry & MOs

Info

ID:	427366
PubChem CID:	135157726
Reduced:	SO2C15H22 (1)
Stoich.:	AB2C15D22 (1)
Weight, g/mol:	398.166414
ΔH_f, kcal/mol:	-89.05
Dipole, Da:	5.09
IP(EA), eV:	-8.74(0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(3,4-dimethoxyphenyl)-2-methyl-7-[(1R)-1-[(3R)-pyrrolidin-3-yl]ethoxy]-1,3-benzothiazole

Drug info:

PubChemData

Smile

CC(C)(C1=CC(=C(C=C1)C2CCOCC2)OC)S

DOS

IR

Vibrations