Geometry & MOs

Info

ID:	80068
PubChem CID:	49832653
Reduced:	SO2N4C20H20 (1)
Stoich.:	AB2C4D20E20 (1)
Weight, g/mol:	378.151433
ΔH_f, kcal/mol:	22.42
Dipole, Da:	3.21
IP(EA), eV:	-8.56(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[[6-(1,3-benzothiazol-2-yloxy)-1H-indol-3-yl]methyl]piperidin-4-amine

Drug info:

PubChemData

Smile

CC1=C2C(=NC=C1)N=C(S2)OC3=CC4=C(C=C3)C(=CN4)CN5CCOCC5

DOS

IR

Vibrations